 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_M11-def2SVPDr.in
 Output=16_3carene_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/16_3carene_STD/Gau-123253.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    123255.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=16_3carene_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:30:21 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 19:30:22 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Thu Jul 22 19:30:22 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 19:30:23 2021, MaxMem= 17179869184 cpu:               7.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.39D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 19:30:23 2021, MaxMem= 17179869184 cpu:               3.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:30:23 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:30:24 2021, MaxMem= 17179869184 cpu:               4.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179619262 LenY= 17179497717
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.110750108292    
 DIIS: error= 3.65D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.110750108292     IErMin= 1 ErrMin= 3.65D-03
 ErrMax= 3.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-02 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.65D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.432 Goal=   None    Shift=    0.000
 GapD=    0.432 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.04D-02 MaxDP=6.08D-01              OVMax= 1.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.64D-03    CP:  1.20D+00
 E= -390.125180535159     Delta-E=       -0.014430426867 Rises=F Damp=F
 DIIS: error= 4.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.125180535159     IErMin= 2 ErrMin= 4.92D-04
 ErrMax= 4.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-04 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.92D-03
 Coeff-Com: -0.963D-01 0.110D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.958D-01 0.110D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.20D-03 MaxDP=1.49D-01 DE=-1.44D-02 OVMax= 4.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.25D-04    CP:  1.25D+00  1.18D+00
 E= -390.125727769941     Delta-E=       -0.000547234783 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.125727769941     IErMin= 3 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-05 BMatP= 2.85D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.270D-01 0.140D+00 0.887D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.270D-01 0.140D+00 0.887D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.93D-04 MaxDP=9.43D-03 DE=-5.47D-04 OVMax= 1.03D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.33D-04    CP:  1.25D+00  1.19D+00  1.04D+00
 E= -390.125755198388     Delta-E=       -0.000027428447 Rises=F Damp=F
 DIIS: error= 6.06D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.125755198388     IErMin= 4 ErrMin= 6.06D-05
 ErrMax= 6.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-06 BMatP= 2.42D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.976D-04-0.508D-01 0.228D+00 0.823D+00
 Coeff:     -0.976D-04-0.508D-01 0.228D+00 0.823D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=4.65D-05 MaxDP=2.13D-03 DE=-2.74D-05 OVMax= 5.41D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.09D-05    CP:  1.25D+00  1.19D+00  1.07D+00  1.02D+00
 E= -390.125759364545     Delta-E=       -0.000004166157 Rises=F Damp=F
 DIIS: error= 1.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.125759364545     IErMin= 5 ErrMin= 1.74D-05
 ErrMax= 1.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-07 BMatP= 3.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-02-0.251D-01 0.598D-02 0.275D+00 0.743D+00
 Coeff:      0.185D-02-0.251D-01 0.598D-02 0.275D+00 0.743D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=3.34D-04 DE=-4.17D-06 OVMax= 1.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.18D-06    CP:  1.25D+00  1.19D+00  1.08D+00  1.06D+00  1.02D+00
 E= -390.125759799792     Delta-E=       -0.000000435247 Rises=F Damp=F
 DIIS: error= 4.85D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.125759799792     IErMin= 6 ErrMin= 4.85D-06
 ErrMax= 4.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-08 BMatP= 4.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.505D-03-0.415D-02-0.125D-01 0.242D-01 0.192D+00 0.800D+00
 Coeff:      0.505D-03-0.415D-02-0.125D-01 0.242D-01 0.192D+00 0.800D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=3.77D-06 MaxDP=1.76D-04 DE=-4.35D-07 OVMax= 6.96D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.75D-06    CP:  1.25D+00  1.19D+00  1.08D+00  1.06D+00  1.06D+00
                    CP:  1.03D+00
 E= -390.125759826287     Delta-E=       -0.000000026496 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.125759826287     IErMin= 7 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-09 BMatP= 2.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.644D-04 0.173D-02-0.441D-02-0.240D-01-0.318D-01 0.242D+00
 Coeff-Com:  0.816D+00
 Coeff:     -0.644D-04 0.173D-02-0.441D-02-0.240D-01-0.318D-01 0.242D+00
 Coeff:      0.816D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.29D-06 MaxDP=5.30D-05 DE=-2.65D-08 OVMax= 2.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.57D-07    CP:  1.25D+00  1.19D+00  1.08D+00  1.07D+00  1.08D+00
                    CP:  1.09D+00  1.11D+00
 E= -390.125759830157     Delta-E=       -0.000000003870 Rises=F Damp=F
 DIIS: error= 5.97D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.125759830157     IErMin= 8 ErrMin= 5.97D-07
 ErrMax= 5.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-10 BMatP= 2.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.699D-04 0.101D-02-0.422D-03-0.102D-01-0.302D-01 0.734D-02
 Coeff-Com:  0.278D+00 0.754D+00
 Coeff:     -0.699D-04 0.101D-02-0.422D-03-0.102D-01-0.302D-01 0.734D-02
 Coeff:      0.278D+00 0.754D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=4.56D-07 MaxDP=1.78D-05 DE=-3.87D-09 OVMax= 9.81D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.01D-07    CP:  1.25D+00  1.19D+00  1.08D+00  1.07D+00  1.08D+00
                    CP:  1.12D+00  1.16D+00  1.14D+00
 E= -390.125759830588     Delta-E=       -0.000000000431 Rises=F Damp=F
 DIIS: error= 1.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.125759830588     IErMin= 9 ErrMin= 1.68D-07
 ErrMax= 1.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-11 BMatP= 3.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-04 0.636D-04 0.278D-03-0.810D-05-0.467D-02-0.234D-01
 Coeff-Com: -0.184D-01 0.193D+00 0.853D+00
 Coeff:     -0.102D-04 0.636D-04 0.278D-03-0.810D-05-0.467D-02-0.234D-01
 Coeff:     -0.184D-01 0.193D+00 0.853D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=9.01D-06 DE=-4.31D-10 OVMax= 2.94D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.64D-08    CP:  1.25D+00  1.19D+00  1.08D+00  1.07D+00  1.08D+00
                    CP:  1.12D+00  1.18D+00  1.21D+00  1.08D+00
 E= -390.125759830652     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 3.23D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.125759830652     IErMin=10 ErrMin= 3.23D-08
 ErrMax= 3.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-12 BMatP= 2.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-05-0.792D-04 0.802D-04 0.989D-03 0.204D-02-0.390D-02
 Coeff-Com: -0.297D-01-0.331D-01 0.136D+00 0.928D+00
 Coeff:      0.442D-05-0.792D-04 0.802D-04 0.989D-03 0.204D-02-0.390D-02
 Coeff:     -0.297D-01-0.331D-01 0.136D+00 0.928D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=6.05D-08 MaxDP=2.84D-06 DE=-6.42D-11 OVMax= 9.96D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.49D-08    CP:  1.25D+00  1.19D+00  1.08D+00  1.07D+00  1.08D+00
                    CP:  1.12D+00  1.19D+00  1.24D+00  1.14D+00  1.19D+00
 E= -390.125759830638     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.125759830652     IErMin=11 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-13 BMatP= 1.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-05-0.165D-04-0.434D-05 0.145D-03 0.563D-03 0.108D-02
 Coeff-Com: -0.363D-02-0.149D-01-0.356D-01 0.118D+00 0.934D+00
 Coeff:      0.132D-05-0.165D-04-0.434D-05 0.145D-03 0.563D-03 0.108D-02
 Coeff:     -0.363D-02-0.149D-01-0.356D-01 0.118D+00 0.934D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=3.81D-07 DE= 1.44D-11 OVMax= 2.89D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.89D-09    CP:  1.25D+00  1.19D+00  1.08D+00  1.07D+00  1.08D+00
                    CP:  1.12D+00  1.19D+00  1.24D+00  1.15D+00  1.26D+00
                    CP:  1.16D+00
 E= -390.125759830619     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 4.01D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.125759830652     IErMin=12 ErrMin= 4.01D-09
 ErrMax= 4.01D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-14 BMatP= 1.01D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.278D-06 0.603D-05-0.786D-05-0.855D-04-0.163D-03 0.584D-03
 Coeff-Com:  0.243D-02 0.246D-02-0.199D-01-0.897D-01 0.121D+00 0.983D+00
 Coeff:     -0.278D-06 0.603D-05-0.786D-05-0.855D-04-0.163D-03 0.584D-03
 Coeff:      0.243D-02 0.246D-02-0.199D-01-0.897D-01 0.121D+00 0.983D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.04D-09 MaxDP=3.21D-07 DE= 1.89D-11 OVMax= 9.94D-08

 SCF Done:  E(RM11) =  -390.125759831     A.U. after   12 cycles
            NFock= 12  Conv=0.50D-08     -V/T= 2.0132
 KE= 3.850466769754D+02 PE=-2.003447491571D+03 EE= 6.767432893266D+02
 Leave Link  502 at Thu Jul 22 19:32:07 2021, MaxMem= 17179869184 cpu:            1229.9 elap:             102.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.50232123D+02

 Leave Link  801 at Thu Jul 22 19:32:07 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 3.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.43D-01 4.57D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 2.66D-02 4.24D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 1.79D-03 7.21D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 8.13D-05 1.26D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 5.85D-06 3.12D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 3.01D-07 8.79D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 7.61D-09 1.36D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.38D-10 1.61D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 2.89D-12 2.79D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 5.07D-14 3.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129472D+03
      2  0.400842D+01  0.119118D+03
      3  0.737242D+00  0.234874D+01  0.100488D+03
 Isotropic polarizability for W=    0.085645      116.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.186583D+02 -0.486357D+02  0.829650D+01
      2  -0.132047D+00  0.480218D+02 -0.117792D+02
      3   0.187903D+02  0.613878D+00  0.348266D+01
      4  -0.421997D+02 -0.469055D+02 -0.218904D+02
      5   0.210486D+02 -0.197220D+02  0.330285D+02
      6  -0.106144D+02  0.510531D+01 -0.195165D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.844975D+00  0.308509D+00  0.292860D+01
      2   0.813487D+01 -0.770150D+01  0.990334D+01
      3   0.175087D+02  0.274431D+02  0.644743D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.216849D+01  0.168845D+02  0.201304D+02
      2  -0.127521D+02 -0.112760D+02  0.142382D+02
      3   0.643600D+01  0.467734D+02  0.910751D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.849111D-01 -0.159430D+01 -0.178853D+01
      2  -0.159430D+01  0.827204D+00 -0.171016D+01
      3  -0.178853D+01 -0.171016D+01 -0.115138D+01
 OR G Eigenvalues:    -3.6849     1.1889     2.0869  Iso=     0.1364
 Eigenvectors:
   (1)   0.549917   0.458819   0.697908
   (2)  -0.689060  -0.222991   0.689544
   (3)  -0.472003   0.860093  -0.193528
 w=    0.085645 a.u., Optical Rotation Beta=      0.1364 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       47.47 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 2.71D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 6.04D-02 2.37D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 3.38D-03 7.13D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 5.81D-05 8.06D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 1.09D-06 1.36D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 1.54D-08 1.18D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.72D-10 1.54D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 1.60D-12 1.33D-07.
     19 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 1.46D-14 1.08D-08.
      2 vectors produced by pass  9 Test12= 3.06D-14 2.78D-09 XBig12= 3.49D-15 6.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   261 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 8.17D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 8.17D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.77D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129472D+03  0.400842D+01  0.737242D+00
      2   0.400842D+01  0.119118D+03  0.234874D+01
      3   0.737242D+00  0.234874D+01  0.100488D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.844975D+00  0.308509D+00  0.292860D+01
      2   0.813487D+01 -0.770150D+01  0.990334D+01
      3   0.175087D+02  0.274431D+02  0.644743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186583D+02 -0.486357D+02  0.829650D+01
      2  -0.132047D+00  0.480218D+02 -0.117792D+02
      3   0.187903D+02  0.613878D+00  0.348266D+01
      4  -0.421997D+02 -0.469055D+02 -0.218904D+02
      5   0.210486D+02 -0.197220D+02  0.330285D+02
      6  -0.106144D+02  0.510531D+01 -0.195165D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248959D+01 -0.515731D+00 -0.194095D+01  0.306857D+00 -0.193278D+01
      2  -0.515731D+00 -0.435650D+00 -0.138851D+01 -0.193278D+01 -0.444492D+01
      3  -0.194095D+01 -0.138851D+01 -0.415915D+01 -0.134370D+00 -0.184082D+00
                 6             7             8             9            10 
      1  -0.134370D+00 -0.362137D+01 -0.232439D+01 -0.414369D+01 -0.200295D+01
      2  -0.184082D+00 -0.232439D+01  0.178489D+01  0.906317D+00  0.996401D+00
      3   0.144660D+01 -0.414369D+01  0.906317D+00  0.105679D+00 -0.119292D+00
                11            12            13            14            15 
      1   0.996401D+00 -0.119292D+00  0.170521D+00 -0.166456D+01  0.135122D+01
      2  -0.105506D+01  0.304903D+01 -0.166456D+01  0.528945D+01  0.407682D+00
      3   0.304903D+01 -0.250046D+01  0.135122D+01  0.407682D+00  0.489604D+00
                16            17            18            19            20 
      1  -0.448934D+00  0.452626D+01 -0.225542D+01 -0.190208D+00 -0.113970D+01
      2   0.452626D+01  0.600673D+00  0.118394D+01 -0.113970D+01 -0.959794D+00
      3  -0.225542D+01  0.118394D+01  0.103149D+00  0.566935D+00  0.137058D+01
                21            22            23            24            25 
      1   0.566935D+00 -0.126207D+01  0.497664D+00  0.118173D+01  0.103799D+01
      2   0.137058D+01  0.497664D+00  0.920484D+01 -0.310734D+00  0.126109D+01
      3   0.191561D+01  0.118173D+01 -0.310734D+00  0.244618D+01  0.300669D+01
                26            27            28            29            30 
      1   0.126109D+01  0.300669D+01 -0.456276D+01 -0.252140D+01 -0.461011D+00
      2  -0.798633D+00  0.465650D+01 -0.252140D+01 -0.327246D+01 -0.935320D+00
      3   0.465650D+01  0.348998D+01 -0.461011D+00 -0.935320D+00 -0.126228D+01
                31            32            33            34            35 
      1  -0.327517D+01 -0.572494D+01 -0.202506D+01 -0.936616D+00 -0.163080D+01
      2  -0.572494D+01 -0.166821D+02 -0.583794D+00 -0.163080D+01 -0.145610D+01
      3  -0.202506D+01 -0.583794D+00 -0.344397D+01 -0.254630D+01 -0.300446D+01
                36            37            38            39            40 
      1  -0.254630D+01  0.292702D+01  0.561874D+00  0.848045D+00 -0.484929D+00
      2  -0.300446D+01  0.561874D+00  0.410778D+01  0.260149D+01  0.565666D+01
      3  -0.165603D+01  0.848045D+00  0.260149D+01  0.191209D+01  0.217501D+01
                41            42            43            44            45 
      1   0.565666D+01  0.217501D+01  0.144682D+01  0.238816D+01  0.402048D+01
      2   0.486108D+01 -0.283820D+01  0.238816D+01 -0.313153D+01  0.409755D+01
      3  -0.283820D+01  0.243590D+01  0.402048D+01  0.409755D+01  0.119769D+01
                46            47            48            49            50 
      1   0.493985D+01  0.166023D+01 -0.382854D+00  0.308157D+01  0.664208D+01
      2   0.166023D+01  0.659561D+01  0.264831D+01  0.664208D+01  0.138455D+02
      3  -0.382854D+00  0.264831D+01  0.155629D+01  0.253169D+01 -0.776815D+00
                51            52            53            54            55 
      1   0.253169D+01  0.444075D-02  0.311492D+01  0.180203D+01 -0.135018D+01
      2  -0.776815D+00  0.311492D+01 -0.118074D+01  0.345532D+01 -0.109377D+01
      3   0.284039D+01  0.180203D+01  0.345532D+01  0.190607D+01 -0.557855D+00
                56            57            58            59            60 
      1  -0.109377D+01 -0.557855D+00 -0.986712D+00 -0.328952D+01 -0.170655D+01
      2  -0.352660D+01 -0.255656D+01 -0.328952D+01 -0.868450D+01  0.127922D+01
      3  -0.255656D+01 -0.754305D+00 -0.170655D+01  0.127922D+01 -0.291382D+01
                61            62            63            64            65 
      1  -0.539283D+00 -0.233420D+01 -0.129036D+01  0.245239D+01  0.130580D+00
      2  -0.233420D+01  0.168619D+01 -0.568236D+01  0.130580D+00  0.114223D+01
      3  -0.129036D+01 -0.568236D+01 -0.171149D+01  0.369224D+01 -0.612389D+00
                66            67            68            69            70 
      1   0.369224D+01  0.346590D+00  0.472943D+01 -0.871787D-01  0.612388D+01
      2  -0.612389D+00  0.472943D+01 -0.381622D+01  0.266648D+01 -0.730950D+00
      3   0.398383D+01 -0.871787D-01  0.266648D+01  0.296883D+00  0.455184D+01
                71            72            73            74            75 
      1  -0.730950D+00  0.455184D+01  0.192019D+01 -0.130651D+01 -0.149394D+01
      2   0.180619D+01  0.102794D+00 -0.130651D+01  0.812364D+00  0.879554D+00
      3   0.102794D+00 -0.180430D+00 -0.149394D+01  0.879554D+00  0.244059D+01
                76            77            78            79            80 
      1  -0.126726D+01  0.575184D+00  0.528928D+00 -0.174255D+01  0.945267D+00
      2   0.575184D+00 -0.174689D+01 -0.208287D+01  0.945267D+00 -0.220048D+01
      3   0.528928D+00 -0.208287D+01 -0.266692D+01  0.206622D+01 -0.279292D+01
                81            82            83            84            85 
      1   0.206622D+01  0.373280D+01  0.178012D+01 -0.182837D+01  0.154277D+01
      2  -0.279292D+01  0.178012D+01  0.173444D+01 -0.164309D+01  0.132459D+01
      3  -0.625098D+01 -0.182837D+01 -0.164309D+01  0.227698D+01 -0.122009D+01
                86            87            88            89            90 
      1   0.132459D+01 -0.122009D+01 -0.227080D+01 -0.170028D+01  0.216998D+01
      2   0.332685D+01 -0.202654D+01 -0.170028D+01 -0.211707D+01  0.208992D+01
      3  -0.202654D+01  0.166629D+01  0.216998D+01  0.208992D+01 -0.339841D+01
                91            92            93            94            95 
      1  -0.449724D+01 -0.183141D+01 -0.224477D+01 -0.230984D+01 -0.279495D+01
      2  -0.183141D+01 -0.143453D+01 -0.117625D+01 -0.279495D+01 -0.303994D+01
      3  -0.224477D+01 -0.117625D+01 -0.183027D+01 -0.114707D+01 -0.115665D+01
                96            97            98            99           100 
      1  -0.114707D+01 -0.495367D+01 -0.259988D+01 -0.324961D+01 -0.590534D+01
      2  -0.115665D+01 -0.259988D+01 -0.215733D+01 -0.257925D+01  0.197814D+01
      3  -0.164038D+01 -0.324961D+01 -0.257925D+01 -0.444221D+01  0.157948D+01
               101           102           103           104           105 
      1   0.197814D+01  0.157948D+01  0.450002D+01 -0.203019D+01 -0.134657D+01
      2  -0.124035D+01 -0.667365D+00 -0.203019D+01  0.200842D+01  0.986665D+00
      3  -0.667365D+00 -0.130553D+01 -0.134657D+01  0.986665D+00  0.994557D+00
               106           107           108           109           110 
      1   0.225628D+01 -0.827714D+00 -0.197432D+01 -0.434728D+00 -0.915278D+00
      2  -0.827714D+00  0.907380D+00  0.416746D+00 -0.915278D+00 -0.630478D-01
      3  -0.197432D+01  0.416746D+00  0.139635D+01  0.549457D+00 -0.221078D+00
               111           112           113           114           115 
      1   0.549457D+00 -0.273888D+01 -0.283255D+01  0.701950D+00  0.176803D+01
      2  -0.221078D+00 -0.283255D+01 -0.668201D+01  0.302753D+01  0.102867D+01
      3  -0.231529D+00  0.701950D+00  0.302753D+01 -0.242491D+01 -0.169858D+01
               116           117           118           119           120 
      1   0.102867D+01 -0.169858D+01  0.171587D+01  0.134661D+01  0.129325D+01
      2   0.362984D+01 -0.325111D+01  0.134661D+01  0.182940D+01  0.126083D+01
      3  -0.325111D+01  0.303545D+01  0.129325D+01  0.126083D+01  0.114695D+01
               121           122           123           124           125 
      1   0.123198D+01  0.164123D+01  0.735813D+00  0.247655D+01  0.151278D+01
      2   0.164123D+01  0.590926D+01  0.220767D+01  0.151278D+01  0.439808D+01
      3   0.735813D+00  0.220767D+01  0.201190D+01  0.136160D+01  0.417734D+01
               126           127           128           129           130 
      1   0.136160D+01 -0.478015D+00  0.123734D+01 -0.707901D+00  0.168237D+01
      2   0.417734D+01  0.123734D+01 -0.944265D+00  0.691478D+00  0.467178D+00
      3   0.450252D+01 -0.707901D+00  0.691478D+00 -0.154388D+00  0.232598D+00
               131           132           133           134           135 
      1   0.467178D+00  0.232598D+00 -0.135556D+01  0.305485D+00  0.213710D+00
      2   0.103046D+02 -0.336278D+01  0.305485D+00 -0.502245D+01  0.375419D+01
      3  -0.336278D+01  0.207162D+01  0.213710D+00  0.375419D+01 -0.240232D+01
               136           137           138           139           140 
      1   0.519031D+01 -0.187634D+01 -0.230064D+01 -0.216010D+01 -0.283551D+01
      2  -0.187634D+01 -0.180660D+01 -0.621864D+00 -0.283551D+01  0.445175D+01
      3  -0.230064D+01 -0.621864D+00 -0.297082D+01 -0.695094D+00 -0.443097D+01
               141           142           143           144           145 
      1  -0.695094D+00 -0.302088D+01 -0.314159D+00 -0.314681D+01 -0.204420D-01
      2  -0.443097D+01 -0.314159D+00 -0.310865D+01 -0.118675D+01 -0.162048D+01
      3  -0.151520D+01 -0.314681D+01 -0.118675D+01  0.819639D-01 -0.263750D+01
               146           147           148           149           150 
      1  -0.162048D+01 -0.263750D+01 -0.194022D+01 -0.508607D+01 -0.552788D+00
      2  -0.299196D+01 -0.348106D+00 -0.508607D+01  0.485622D+01 -0.236090D+01
      3  -0.348106D+00 -0.247727D+01 -0.552788D+00 -0.236090D+01 -0.167145D+01
               151           152           153           154           155 
      1  -0.305997D+01 -0.523266D+00 -0.353019D+01 -0.715612D+01  0.986023D+00
      2  -0.523266D+00 -0.257278D+01 -0.156345D+01  0.986023D+00 -0.697576D+00
      3  -0.353019D+01 -0.156345D+01  0.484469D+01  0.906932D+00  0.329220D+00
               156           157           158           159           160 
      1   0.906932D+00  0.129119D+01 -0.424836D+00  0.164677D+00  0.977087D+00
      2   0.329220D+00 -0.424836D+00 -0.187590D+00  0.655712D+00  0.937224D-01
      3  -0.209419D+01  0.164677D+00  0.655712D+00  0.668665D+00 -0.122737D+01
               161           162           163           164           165 
      1   0.937224D-01 -0.122737D+01  0.254755D+01  0.124805D+01  0.257162D+01
      2   0.536374D+00  0.372196D+00  0.124805D+01  0.121135D+01  0.859938D+00
      3   0.372196D+00  0.925554D+00  0.257162D+01  0.859938D+00  0.327769D+01
               166           167           168           169           170 
      1   0.190042D+01  0.152582D+01  0.144287D+01  0.194598D+01  0.762891D+00
      2   0.152582D+01  0.158216D+01  0.230716D+01  0.762891D+00  0.143807D+01
      3   0.144287D+01  0.230716D+01  0.332950D+01  0.256317D+01  0.175400D+01
               171           172           173           174           175 
      1   0.256317D+01  0.660960D+00 -0.114694D+01  0.116469D+01 -0.142737D+01
      2   0.175400D+01 -0.114694D+01  0.124614D+01 -0.510913D+00  0.184030D+01
      3   0.522535D+01  0.116469D+01 -0.510913D+00  0.119500D+01 -0.785549D+00
               176           177           178           179           180 
      1   0.184030D+01 -0.785549D+00  0.663793D+00 -0.394192D+00  0.947078D+00
      2  -0.673002D+01  0.362997D+01 -0.394192D+00  0.188172D+01 -0.178396D+01
      3   0.362997D+01 -0.315663D+01  0.947078D+00 -0.178396D+01  0.219378D+01
               181           182           183           184           185 
      1   0.127541D+01  0.411646D+00 -0.156076D+01  0.842330D+00  0.936852D+00
      2   0.411646D+00  0.475914D+00 -0.132898D-01  0.936852D+00 -0.150128D+00
      3  -0.156076D+01 -0.132898D-01  0.157231D+01 -0.211607D+00 -0.660132D+00
               186           187           188           189           190 
      1  -0.211607D+00 -0.313407D+01  0.109349D+00  0.304778D+01  0.240561D+01
      2  -0.660132D+00  0.109349D+00 -0.805883D+00  0.498734D+00 -0.183335D+01
      3   0.813358D+00  0.304778D+01  0.498734D+00 -0.684883D+01  0.657899D+00
               191           192           193           194           195 
      1  -0.183335D+01  0.657899D+00 -0.405212D+01  0.421926D+01 -0.386591D+00
      2   0.180669D+01 -0.271262D+00  0.421926D+01 -0.742521D+01  0.124148D+01
      3  -0.271262D+00  0.475725D+00 -0.386591D+00  0.124148D+01 -0.114221D+01
               196           197           198           199           200 
      1   0.150885D+01 -0.666639D+00  0.123235D+01  0.622384D+01  0.197632D+01
      2  -0.666639D+00  0.136714D+01 -0.104428D+01  0.197632D+01  0.150891D+01
      3   0.123235D+01 -0.104428D+01  0.378985D+00  0.214350D+01  0.719673D+00
               201           202           203           204           205 
      1   0.214350D+01  0.427515D+01  0.266669D+01  0.119901D+01  0.400432D+01
      2   0.719673D+00  0.266669D+01  0.187820D+01  0.137264D+01  0.925900D+00
      3   0.151919D+01  0.119901D+01  0.137264D+01  0.153103D+01  0.247274D+01
               206           207           208           209           210 
      1   0.925900D+00  0.247274D+01  0.986778D-01 -0.104003D+01  0.388403D+00
      2   0.140423D+01  0.114983D+01 -0.104003D+01  0.399563D-01 -0.356594D+00
      3   0.114983D+01  0.190130D+01  0.388403D+00 -0.356594D+00 -0.224593D+00
               211           212           213           214           215 
      1  -0.159988D+01 -0.560342D+00 -0.467469D-02  0.140760D+01  0.100333D+00
      2  -0.560342D+00 -0.900842D+01  0.156236D+01  0.100333D+00  0.392452D+01
      3  -0.467469D-02  0.156236D+01 -0.143243D+01 -0.608851D+00 -0.247707D+01
               216           217           218           219           220 
      1  -0.608851D+00 -0.195737D+01 -0.953980D+00 -0.188401D+01 -0.651573D+00
      2  -0.247707D+01 -0.953980D+00 -0.162792D+01 -0.161699D+01 -0.110775D+01
      3   0.100426D+01 -0.188401D+01 -0.161699D+01 -0.197210D+01 -0.901720D+00
               221           222           223           224           225 
      1  -0.110775D+01 -0.901720D+00 -0.264914D+01 -0.134991D+01 -0.222121D+01
      2  -0.379224D+01 -0.227543D+01 -0.134991D+01 -0.290105D+01 -0.402301D+01
      3  -0.227543D+01 -0.219937D+01 -0.222121D+01 -0.402301D+01 -0.646097D+01
               226           227           228           229           230 
      1  -0.504553D+01  0.348160D+01  0.175739D+01  0.298435D+01 -0.243894D+01
      2   0.348160D+01 -0.245500D+01 -0.147052D+01 -0.243894D+01  0.487189D+01
      3   0.175739D+01 -0.147052D+01 -0.133535D+01 -0.104058D+01  0.170533D+01
               231           232           233           234 
      1  -0.104058D+01  0.211123D+01 -0.167844D+01 -0.156296D+01
      2   0.170533D+01 -0.167844D+01  0.208741D+01  0.773257D+00
      3   0.116481D+01 -0.156296D+01  0.773257D+00  0.105887D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898361D+00  0.706402D+00 -0.902222D+00  0.913078D+00  0.960984D+01
      2  -0.324136D+01 -0.304613D-01 -0.308301D+01 -0.190775D+00 -0.418645D+01
      3   0.317828D-01 -0.348967D+01  0.172619D+01  0.759399D+01  0.900818D+01
                 6             7             8             9            10 
      1  -0.151079D+01  0.180776D+01  0.223550D+01  0.511009D+00 -0.104634D+01
      2  -0.173798D+00 -0.134832D+02 -0.352735D+01 -0.611655D+01 -0.215414D+01
      3   0.326694D+01  0.598828D+01 -0.143053D+00  0.415384D+01 -0.118646D+01
                11            12            13            14            15 
      1  -0.363307D+01 -0.699918D+00 -0.210475D+01 -0.887512D+01 -0.439181D+01
      2   0.403498D+01 -0.865310D+00  0.234904D+01  0.507409D+00  0.197077D+01
      3  -0.605531D+01 -0.338687D+01  0.687374D+01 -0.120751D+02  0.240813D+01
                16            17            18            19            20 
      1  -0.437328D+01  0.229908D+01 -0.232771D+01  0.197977D+01  0.364749D+01
      2  -0.670244D+01  0.660364D+01 -0.766745D+00 -0.241914D+01 -0.976463D+00
      3  -0.697875D+01  0.340020D+01 -0.518763D+01 -0.838311D+00 -0.470379D+01
                21            22            23            24            25 
      1   0.229825D+01  0.229412D+01 -0.990674D+01  0.428772D+01  0.448168D+01
      2   0.647293D+00 -0.234135D+01 -0.252103D+00 -0.319634D+01 -0.565628D+01
      3   0.246577D+00  0.520832D+01  0.131548D+02 -0.123962D+01  0.146627D+01
                26            27            28            29            30 
      1   0.171929D+02  0.357980D+01 -0.280865D+00 -0.805519D+00  0.222782D+00
      2  -0.421077D+01 -0.163718D+01 -0.113276D+01  0.587256D+01  0.343186D+01
      3  -0.287350D+01  0.271779D+01 -0.109674D+02 -0.191046D+02 -0.474569D+01
                31            32            33            34            35 
      1   0.274644D+00 -0.347694D+01  0.391389D+00  0.102976D+01  0.100016D+02
      2   0.746407D+01  0.294682D+01  0.929505D+01 -0.333540D+01  0.680994D+01
      3  -0.137402D+02 -0.411644D+02 -0.253230D+01 -0.680922D+01 -0.367163D+01
                36            37            38            39            40 
      1   0.214792D+01  0.120853D+01  0.435594D+01  0.375051D+01  0.374262D+01
      2   0.561654D+01 -0.443498D+01 -0.111386D+02 -0.472806D+01 -0.799601D+01
      3  -0.763771D+01 -0.302166D+01  0.116471D+02  0.906449D+01  0.251297D+02
                41            42            43            44            45 
      1  -0.265016D+01  0.996024D+00  0.782030D+01  0.851652D+01  0.252421D+01
      2   0.974100D+01 -0.954048D+01 -0.198397D+02 -0.192089D+02 -0.569478D+01
      3   0.142316D+02 -0.130290D+02  0.691410D+01 -0.154888D+02  0.117730D+02
                46            47            48            49            50 
      1  -0.347306D+00 -0.239891D+01 -0.162357D+01 -0.132220D+01  0.480604D+01
      2  -0.240575D+01 -0.418562D+01 -0.307763D+01 -0.330661D+01 -0.100174D+01
      3   0.465511D+01  0.722469D+01  0.401416D+01  0.187185D+02  0.442050D+02
                51            52            53            54            55 
      1  -0.403158D+01  0.144568D+00  0.173890D+01 -0.844235D+00  0.144566D+01
      2  -0.774400D+01 -0.129825D+02 -0.105936D+02 -0.412909D+01 -0.160458D+01
      3   0.262404D+01  0.560571D+01  0.286006D+01  0.963079D+01 -0.422802D+01
                56            57            58            59            60 
      1   0.666129D+01  0.234949D+01  0.430224D+01 -0.524718D+01  0.645017D+01
      2   0.854230D+00  0.188024D+01  0.772316D+00  0.742122D+00  0.453944D+00
      3  -0.939560D+01 -0.304166D+01 -0.773066D+00 -0.126407D+02 -0.302912D+01
                61            62            63            64            65 
      1   0.566990D+01  0.220855D+02  0.622995D+01  0.209068D+01  0.267575D+01
      2  -0.289166D+01 -0.167445D+01  0.643812D+00  0.136375D+02 -0.317053D+01
      3  -0.446929D+01 -0.536940D+01 -0.556579D+01  0.101082D+00 -0.819850D+01
                66            67            68            69            70 
      1   0.169088D+01 -0.389267D+01  0.110688D+01 -0.566155D+01  0.264256D+00
      2   0.142661D+02 -0.306690D+00  0.634925D+01  0.122508D+01  0.308277D+01
      3   0.599418D+00 -0.532729D+01  0.728026D+01 -0.559722D+01 -0.601798D+00
                71            72            73            74            75 
      1   0.554387D+01 -0.588121D+00  0.518669D+00 -0.741677D+00  0.110909D+01
      2   0.112268D+01 -0.203318D+01  0.308095D+01 -0.119606D+01  0.973914D+00
      3  -0.503786D+01 -0.197763D+01 -0.781205D+00 -0.993797D+00  0.550622D+00
                76            77            78            79            80 
      1  -0.169288D+00  0.132097D+01 -0.411394D+00  0.607000D+00  0.326841D+01
      2  -0.183670D+01 -0.984551D+00 -0.171557D+01 -0.352521D+01 -0.529770D+00
      3   0.270265D+01  0.644261D+00  0.131354D+01  0.177435D+01  0.205193D+01
                81            82            83            84            85 
      1  -0.145972D+01  0.106965D+01 -0.291762D+00 -0.179059D+01  0.168624D+00
      2  -0.149089D+01  0.255317D+01 -0.383882D+00  0.233135D+01  0.273539D-01
      3   0.471670D+00  0.381363D+01 -0.149229D+01 -0.520113D+00  0.264783D+01
                86            87            88            89            90 
      1  -0.160506D+01 -0.138976D+01 -0.144959D+01  0.128229D+01  0.290721D+01
      2  -0.916361D+00  0.109461D+01 -0.192018D+01  0.142484D+00 -0.212759D+01
      3  -0.271478D+01  0.986514D+00 -0.159755D+01  0.149133D+01  0.957152D+00
                91            92            93            94            95 
      1  -0.314336D+01 -0.132972D+01 -0.258027D+01 -0.199138D+01 -0.108599D+01
      2   0.774644D+01  0.444076D+01  0.814524D+01  0.427662D+01  0.444048D+01
      3  -0.232638D+01 -0.549574D+01 -0.253452D+01 -0.633734D+01 -0.891934D+01
                96            97            98            99           100 
      1  -0.300127D+01 -0.435837D+01 -0.214073D+01 -0.539086D+01  0.224889D+01
      2   0.671985D+01  0.100983D+02  0.974126D+01  0.171106D+02 -0.408609D+01
      3  -0.291839D+01 -0.365760D+01 -0.590214D+01 -0.651775D+01  0.115930D+02
               101           102           103           104           105 
      1  -0.165016D+01 -0.946840D+00 -0.158711D+01  0.239525D+01 -0.225035D+00
      2   0.205085D+01  0.601783D+01  0.330049D+01 -0.333036D+01 -0.425895D+01
      3  -0.798821D+01 -0.404849D+01 -0.818814D+01  0.105876D+02  0.471892D+01
               106           107           108           109           110 
      1  -0.201979D+01  0.161310D+01  0.838938D+00 -0.342838D-01 -0.723457D+00
      2   0.473456D+01 -0.138875D+01 -0.484304D+01 -0.186651D+01  0.169188D+01
      3  -0.458585D+01  0.514372D+01  0.282395D+01 -0.318723D+01 -0.692216D+00
               111           112           113           114           115 
      1  -0.412585D+00  0.683837D+00  0.633810D+00 -0.365650D+01 -0.220823D+01
      2   0.113477D+01 -0.993818D+00 -0.102971D+02  0.897838D+01  0.345355D+01
      3  -0.126425D+01 -0.546640D+01 -0.219018D+02  0.103793D+02  0.124687D+01
               116           117           118           119           120 
      1  -0.137571D+01  0.302499D+01 -0.425320D+01 -0.326903D+01 -0.369634D+01
      2   0.111074D+02 -0.103634D+02 -0.131545D+01 -0.103976D+01  0.693794D+00
      3   0.132014D+02 -0.101735D+02  0.575374D+01  0.197909D+01  0.377634D+01
               121           122           123           124           125 
      1  -0.149811D+01 -0.481317D+01 -0.645715D+01 -0.375543D+01 -0.915249D+01
      2  -0.682563D+00 -0.944786D+00  0.122803D-01 -0.215043D+01 -0.657709D+00
      3   0.553925D+01  0.599001D+01  0.230106D+01  0.911361D+01  0.484731D+01
               126           127           128           129           130 
      1  -0.129622D+02  0.154648D+01 -0.200353D+01  0.127206D+00  0.136518D+00
      2  -0.101196D+01  0.532314D+00  0.800382D+00  0.930888D+00  0.342083D+00
      3   0.434149D+01 -0.116511D+01  0.139155D+01 -0.140388D+01  0.736679D+01
               131           132           133           134           135 
      1   0.672047D+01 -0.680169D+01 -0.202384D+01 -0.733787D+01  0.611763D+01
      2  -0.762120D+00 -0.706738D-01 -0.177155D+01  0.347341D-01 -0.481598D-02
      3   0.475295D+01 -0.151715D+00 -0.414687D+01 -0.350811D+00  0.209788D+01
               136           137           138           139           140 
      1  -0.664544D+01 -0.436978D+01 -0.270297D+01 -0.681975D+01  0.773838D+01
      2  -0.171598D+02  0.308300D+01  0.532017D+01  0.367843D+01 -0.190293D+01
      3   0.197681D-01  0.142887D+01  0.253733D+01  0.842211D+01 -0.578806D+01
               141           142           143           144           145 
      1  -0.140976D+02 -0.238413D+01 -0.652421D+01 -0.330445D+01 -0.136893D+01
      2  -0.743229D+00  0.597834D+00 -0.108297D+01  0.558564D+01 -0.966259D+01
      3   0.730566D+01  0.237180D+01  0.503842D+01  0.342214D+01  0.674445D+01
               146           147           148           149           150 
      1  -0.149525D-01 -0.188547D+01  0.447282D+00 -0.216380D+01 -0.234893D+01
      2  -0.141916D+01 -0.922528D+01 -0.210282D+01 -0.975984D+01 -0.589868D+01
      3   0.115480D+02  0.265288D+01  0.241299D+02 -0.156867D+02  0.907823D+01
               151           152           153           154           155 
      1  -0.265906D+01  0.163974D+01  0.321292D+01  0.397804D+01 -0.253334D+01
      2  -0.186282D+02 -0.500696D+01  0.172349D+02  0.220833D+02 -0.288552D+01
      3   0.321067D+01  0.885279D+01  0.745362D+01  0.299872D+01 -0.120343D+01
               156           157           158           159           160 
      1  -0.208090D+00 -0.228589D+01  0.548480D+00  0.258739D+00 -0.768637D+00
      2  -0.167294D+01 -0.369248D+01  0.170376D+01  0.504765D-01 -0.498254D+01
      3  -0.451176D+00  0.206227D+01  0.857966D-01 -0.541042D+00 -0.349058D+00
               161           162           163           164           165 
      1   0.155332D+01  0.817206D+00  0.384641D+01  0.447858D+01  0.270314D+01
      2   0.391582D+00  0.269431D+01 -0.147100D+01 -0.127205D+01  0.185341D+01
      3   0.242016D+00  0.182982D+00 -0.204039D+01 -0.368240D+01 -0.208612D+01
               166           167           168           169           170 
      1   0.389390D+01  0.552608D+01  0.493093D+01  0.295483D+01  0.585598D+01
      2  -0.291535D+01  0.692098D+00  0.281517D+01 -0.264311D+01  0.854939D+00
      3  -0.138424D+01 -0.353854D+01 -0.388909D+01 -0.129899D+01 -0.322854D+01
               171           172           173           174           175 
      1   0.575032D+01 -0.106965D+01  0.258167D+01  0.419829D+00  0.332770D+01
      2   0.327983D+01  0.849379D+00  0.829726D+00  0.698131D+00  0.282437D+01
      3  -0.354224D+01  0.101617D+01 -0.208316D+01  0.242602D+00  0.116571D+01
               176           177           178           179           180 
      1  -0.131378D+02  0.274885D+01 -0.500365D+00  0.445537D+01 -0.197873D+01
      2   0.255435D+01 -0.398768D+01 -0.149299D+01 -0.150426D+01  0.172175D+01
      3   0.946936D+01 -0.495115D+01 -0.563574D+00 -0.268390D+01  0.214597D+01
               181           182           183           184           185 
      1  -0.103183D+01 -0.536833D+00  0.862005D+00 -0.897674D-01 -0.481775D+00
      2  -0.531451D+01  0.120668D+00  0.618962D+01  0.643947D-01 -0.166235D+01
      3  -0.190235D+01 -0.235192D+01  0.969456D+00 -0.221401D+01 -0.192620D+00
               186           187           188           189           190 
      1  -0.228054D+00  0.133095D+01  0.300970D+01 -0.363655D+01  0.504597D+00
      2   0.295495D+01  0.597902D+01  0.211908D+01 -0.241161D+02  0.239100D+01
      3   0.228372D+01  0.894068D+00  0.382981D+01 -0.324485D+01  0.504909D+01
               191           192           193           194           195 
      1  -0.395985D+00  0.965510D+00 -0.336503D+00  0.140420D+01 -0.353677D+01
      2  -0.135555D+01  0.316051D+01 -0.146231D+01  0.504224D+01 -0.512029D+01
      3  -0.703883D+01  0.766503D+00 -0.954196D+01  0.250135D+02 -0.445760D+01
               196           197           198           199           200 
      1   0.771269D+00  0.583531D-01  0.664966D+00  0.115973D+01  0.756244D+00
      2   0.301918D+01 -0.320137D+01  0.136523D+01  0.761039D+01  0.293534D+01
      3   0.776485D+00 -0.473790D+01  0.263319D+01 -0.979402D+01 -0.821670D+01
               201           202           203           204           205 
      1   0.129573D+00  0.702697D+00  0.103630D+01 -0.755708D+00  0.992197D+00
      2   0.788702D+01  0.408277D+01  0.522139D+01  0.675242D+01  0.707703D+01
      3  -0.381607D+01 -0.950909D+01 -0.880225D+01 -0.564343D+01 -0.458451D+01
               206           207           208           209           210 
      1   0.159507D+01  0.110583D+00  0.220883D+01 -0.920457D+00  0.769665D-01
      2   0.429598D+01  0.750829D+01 -0.614373D+00  0.509020D+00  0.158671D+01
      3  -0.668085D+01 -0.524859D+01 -0.188709D+01  0.708359D+00 -0.147350D+01
               211           212           213           214           215 
      1   0.469039D+00  0.101619D+02 -0.642599D+01 -0.118437D+01 -0.727534D+01
      2  -0.989315D+00 -0.261477D+01  0.161426D+01  0.636159D+00  0.285550D+01
      3   0.554656D+01 -0.103978D+02  0.144341D+01 -0.430376D+01  0.502742D+01
               216           217           218           219           220 
      1   0.501047D+01 -0.233021D+01 -0.158079D+01 -0.249805D+01 -0.346498D+00
      2  -0.204277D+01 -0.461001D+00  0.695069D+00  0.136193D+01 -0.518230D+00
      3  -0.203016D+01  0.273813D+01 -0.242145D+01  0.430643D+00  0.185740D+01
               221           222           223           224           225 
      1   0.494965D+00 -0.292108D+01 -0.152866D+01 -0.271476D+01 -0.766071D+01
      2   0.144280D+01  0.162410D+01 -0.335978D+01  0.305502D+01  0.500134D+01
      3  -0.382155D+01 -0.104281D+01  0.358364D+01 -0.183761D+01 -0.188951D+01
               226           227           228           229           230 
      1  -0.135616D+01  0.133563D+01  0.324168D+01  0.719570D+00 -0.123237D+01
      2  -0.772363D+00  0.230773D+01  0.438819D+01  0.153090D+00 -0.276824D+01
      3  -0.318905D+01 -0.879310D+00  0.264045D-01  0.225538D+01  0.521589D+01
               231           232           233           234 
      1  -0.245786D+01  0.333930D+01  0.213519D+01 -0.212613D+01
      2  -0.311166D+01  0.194849D+01  0.145714D+01 -0.174795D+01
      3   0.127684D+01  0.100095D+01  0.201960D+01 -0.179015D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.115843D+02 -0.567720D+01 -0.100798D+02 -0.419245D+01 -0.299365D+01
      2   0.768095D+01  0.199005D+01  0.927061D+00 -0.237026D-01  0.744841D+01
      3   0.390335D+01  0.368715D+01  0.915272D+01  0.421615D+01 -0.445476D+01
      4   0.173012D+01 -0.223141D+00 -0.200958D+01 -0.268318D+01 -0.330465D+01
      5  -0.660426D-01 -0.443264D+01 -0.839804D+01  0.662558D+00  0.119163D+00
      6  -0.178008D+01  0.133301D+01  0.574198D+01  0.291824D+01  0.361415D+01
                 6             7             8             9            10 
      1   0.602729D+01 -0.178597D+02 -0.221492D+00 -0.275227D+01 -0.593148D+01
      2  -0.148930D+01  0.546496D+01  0.274069D+01  0.581369D+01  0.534380D+01
      3  -0.453799D+01  0.123948D+02 -0.251920D+01 -0.306141D+01  0.587680D+00
      4  -0.410105D-01 -0.405362D+01  0.646161D+01  0.784939D+01 -0.770195D+00
      5   0.571597D+01 -0.741684D+01  0.625645D+01  0.817920D+01  0.404067D+01
      6  -0.368774D+01  0.828484D+01 -0.348042D+01 -0.640894D+01  0.479281D+01
                11            12            13            14            15 
      1   0.755822D+01 -0.471754D+01  0.630786D+01 -0.967146D+01  0.542529D+00
      2  -0.920433D+00  0.341423D+01 -0.130043D+01  0.118333D+02  0.124562D+01
      3  -0.663779D+01  0.130331D+01 -0.500743D+01 -0.216181D+01 -0.178815D+01
      4  -0.545320D+01  0.955062D+01 -0.866903D+01  0.737287D+01  0.608856D+01
      5   0.787967D+01 -0.831716D+01  0.265959D+01  0.286548D+01 -0.361188D+01
      6   0.265874D+01 -0.598810D+01  0.618926D+01  0.120032D+01 -0.613094D+00
                16            17            18            19            20 
      1  -0.655581D+01  0.109763D+02 -0.689509D+01  0.305569D+00  0.858270D+01
      2   0.468857D+01 -0.655650D+01  0.667707D+01  0.225371D+01 -0.213106D+01
      3   0.186724D+01 -0.441976D+01  0.218024D+00 -0.255928D+01 -0.645164D+01
      4   0.149830D+02  0.575788D+01 -0.237652D+01  0.327214D+01  0.162751D+01
      5  -0.833134D+01 -0.323992D+01  0.442223D+01 -0.278479D+01 -0.281064D+01
      6  -0.653535D+01 -0.103669D+01  0.384828D+01 -0.687026D+00 -0.532111D+01
                21            22            23            24            25 
      1   0.655891D+01  0.127061D+02  0.186150D+02 -0.396455D+01  0.705500D+01
      2  -0.132119D+01 -0.677842D+01 -0.232182D+02  0.103298D+02 -0.245693D+00
      3  -0.523772D+01 -0.592771D+01  0.460314D+01 -0.636524D+01 -0.680931D+01
      4  -0.511191D+01 -0.654827D+00 -0.168986D+02 -0.527281D+01 -0.618612D+01
      5  -0.717612D+01 -0.420057D+01 -0.462750D+01 -0.886495D+01 -0.904091D+01
      6  -0.730908D+01 -0.407830D+01  0.151378D+01 -0.950099D+01 -0.100798D+02
                26            27            28            29            30 
      1  -0.406791D+01  0.862498D+01  0.173259D+02  0.123529D+02  0.190390D+01
      2   0.192101D+02 -0.157960D+01 -0.131188D+02 -0.710196D+01 -0.253113D+01
      3  -0.151421D+02 -0.704538D+01 -0.420707D+01 -0.525098D+01  0.627236D+00
      4  -0.692088D+01 -0.156071D+02  0.357504D+01  0.194482D+02  0.571154D+01
      5  -0.142081D+02 -0.137905D+02  0.457752D+01  0.428630D+01  0.662961D+01
      6  -0.194371D+02 -0.145873D+02  0.564068D+00 -0.421810D+00 -0.234270D+01
                31            32            33            34            35 
      1   0.128020D+02  0.294294D+02  0.877196D+01  0.682408D+01  0.823611D+01
      2  -0.913955D+01 -0.219693D+02 -0.288712D+01 -0.684810D+01 -0.601200D+01
      3  -0.366248D+01 -0.746010D+01 -0.588484D+01  0.240171D-01 -0.222411D+01
      4   0.210440D+02  0.498317D+02  0.881053D+00  0.577817D+01  0.341978D+01
      5   0.608058D+01 -0.915850D+00  0.112712D+02  0.152818D+02  0.100674D+02
      6  -0.128580D+01  0.306981D+01  0.108042D+01 -0.180966D+00  0.842818D+01
                36            37            38            39            40 
      1   0.687255D+01 -0.186247D+02  0.293876D+01 -0.273681D+01  0.115990D+02
      2  -0.128374D+02  0.141965D+02 -0.295241D+01  0.363770D-01 -0.828595D+01
      3   0.596484D+01  0.442822D+01  0.136497D-01  0.270043D+01 -0.331306D+01
      4   0.724957D+01  0.563868D+01 -0.216628D+02 -0.185366D+02 -0.332150D+02
      5   0.938226D+01 -0.531544D+01 -0.196996D+02 -0.156217D+02 -0.184940D+02
      6  -0.202578D+01 -0.709290D+01 -0.416249D+01 -0.359395D+01  0.158439D+01
                41            42            43            44            45 
      1  -0.227577D+02 -0.234418D+02 -0.988120D+01 -0.275604D+02 -0.178411D+02
      2   0.108975D+02  0.156386D+02  0.446359D+01  0.188520D+02  0.788239D+01
      3   0.118602D+02  0.780317D+01  0.541761D+01  0.870845D+01  0.995866D+01
      4  -0.252127D+02  0.149375D+02 -0.204157D+02  0.142708D+02 -0.254617D+02
      5   0.188461D+02 -0.176214D+02 -0.320558D+02 -0.295944D+02 -0.103985D+02
      6   0.105137D+02 -0.125258D+02 -0.988960D+01 -0.181433D+02 -0.554087D+00
                46            47            48            49            50 
      1  -0.188139D+02 -0.123628D+02 -0.183393D+01 -0.235238D+02 -0.398464D+02
      2   0.103443D+02  0.137073D+02  0.256209D+01  0.218628D+02  0.364947D+02
      3   0.846953D+01 -0.134447D+01 -0.728166D+00  0.166109D+01  0.335166D+01
      4   0.659523D+01 -0.175252D+02 -0.121834D+02 -0.233373D+02 -0.338057D+02
      5   0.895931D+01 -0.972285D+01 -0.367042D+01 -0.915922D+01  0.737334D+01
      6  -0.642342D+01  0.799015D+01  0.317976D+01  0.815092D+01 -0.102121D+02
                51            52            53            54            55 
      1  -0.444901D+01 -0.326088D+01 -0.807668D+01 -0.151834D+02  0.394044D+01
      2   0.438390D+00  0.343270D+01 -0.346369D+01  0.252950D+01 -0.264728D+01
      3   0.401062D+01 -0.171826D+00  0.115404D+02  0.126539D+02 -0.129316D+01
      4   0.952912D+01 -0.174381D+02  0.131513D+02 -0.915607D+01  0.113164D+01
      5  -0.950438D+01 -0.165615D+01 -0.937145D+01 -0.134725D+01 -0.294860D+01
      6   0.421315D+01  0.466664D+01  0.150445D+02  0.485817D+00 -0.198354D+01
                56            57            58            59            60 
      1   0.942286D+01  0.873047D+01  0.938831D+01  0.397464D+02 -0.446013D+01
      2  -0.107628D+02 -0.106162D+02 -0.104077D+02 -0.432899D+02  0.955705D+01
      3   0.133992D+01  0.188570D+01  0.101940D+01  0.354344D+01 -0.509692D+01
      4   0.391506D+01  0.360084D+00  0.637857D+01  0.352955D+01 -0.103965D+02
      5  -0.164388D+00 -0.264386D+01  0.687697D-01 -0.625184D+01  0.692408D+00
      6  -0.111632D+02 -0.318932D+01 -0.647355D+01  0.122526D+02 -0.177003D+02
                61            62            63            64            65 
      1   0.904053D+01 -0.703176D+01  0.231359D+02 -0.133412D+01  0.354183D+01
      2  -0.905224D+01  0.146472D+02 -0.252439D+02 -0.440630D+01 -0.317243D+01
      3   0.117108D-01 -0.761546D+01  0.210799D+01  0.574042D+01 -0.369404D+00
      4  -0.135537D+01 -0.143508D+02 -0.220738D+01  0.264389D+01  0.442534D+01
      5  -0.114449D+01 -0.226133D+01 -0.388557D+01  0.108317D+02 -0.721595D+00
      6  -0.871244D+01 -0.355092D+02 -0.716484D+01 -0.205114D+01  0.335245D+01
                66            67            68            69            70 
      1   0.113097D+02  0.486323D+01  0.131141D+02  0.111953D+00  0.202178D+02
      2  -0.883802D+01 -0.277587D+01 -0.904625D+01 -0.138121D+01 -0.135906D+02
      3  -0.247172D+01 -0.208736D+01 -0.406782D+01  0.126925D+01 -0.662721D+01
      4  -0.330831D+01  0.149542D+02 -0.133325D+02  0.717018D+01 -0.517858D+01
      5   0.129466D+02 -0.413733D+00  0.816219D+01  0.181700D+01  0.167698D+02
      6  -0.125850D+01 -0.251174D+00 -0.449516D+01  0.220315D+01 -0.267286D+01
                71            72            73            74            75 
      1  -0.240959D+01  0.147206D+02  0.187279D+01  0.454660D+00  0.311354D+01
      2  -0.194428D+00 -0.102796D+02 -0.463630D+01  0.116585D+01  0.380308D+01
      3   0.260402D+01 -0.444103D+01  0.276351D+01 -0.162051D+01 -0.691663D+01
      4   0.501681D+01 -0.121766D+01 -0.652889D+01  0.629839D+01  0.498390D+01
      5   0.890056D+00 -0.247992D+01 -0.826306D+01  0.518024D+01  0.123383D+02
      6   0.356497D+01  0.100127D+01  0.531690D+01 -0.412390D+01 -0.576079D+01
                76            77            78            79            80 
      1   0.490576D+00 -0.875324D+01 -0.864602D+01  0.307691D+01 -0.787758D+01
      2   0.807993D+00  0.335114D+01  0.607897D+00  0.371309D+01 -0.144268D+01
      3  -0.129857D+01  0.540209D+01  0.803812D+01 -0.679000D+01  0.932026D+01
      4   0.444973D+01 -0.492689D+01 -0.557773D+01  0.473979D+01 -0.618522D+01
      5   0.417052D+01 -0.582981D+01 -0.673768D+01  0.954808D+01 -0.762262D+01
      6  -0.325875D+01  0.970268D+01  0.124594D+02 -0.515166D+01  0.123339D+02
                81            82            83            84            85 
      1  -0.181243D+02  0.885569D+01  0.486565D+00 -0.278767D+00 -0.888877D+00
      2  -0.980787D+01 -0.619469D+01  0.432984D+00  0.235695D+01  0.118237D+01
      3   0.279321D+02 -0.266100D+01 -0.919549D+00 -0.207818D+01 -0.293496D+00
      4  -0.886350D+01  0.138142D+02  0.123759D+02 -0.937434D+01  0.985014D+01
      5  -0.167477D+02 -0.125668D+02 -0.823177D+01  0.124920D+02 -0.628587D+01
      6   0.178473D+02 -0.861439D+01 -0.743256D+01  0.772206D+01 -0.641539D+01
                86            87            88            89            90 
      1  -0.636109D+01  0.341777D+01 -0.579345D+00  0.270426D+01 -0.556090D+01
      2   0.778356D+01 -0.215204D+01  0.309786D+01 -0.105788D+00 -0.410238D+01
      3  -0.142247D+01 -0.126573D+01 -0.251852D+01 -0.259847D+01  0.966329D+01
      4   0.136182D+02 -0.889409D+01 -0.912194D+01 -0.975951D+01  0.107849D+02
      5  -0.834946D+01  0.645662D+01  0.113369D+02  0.901556D+01 -0.135975D+02
      6  -0.121145D+02  0.107573D+02  0.863705D+01  0.120943D+02 -0.139013D+02
                91            92            93            94            95 
      1   0.344325D+02  0.120462D+02  0.157575D+02  0.128334D+02  0.114658D+02
      2  -0.185612D+02 -0.461085D+01 -0.811771D+01 -0.420133D+01 -0.234810D+01
      3  -0.158713D+02 -0.743535D+01 -0.763979D+01 -0.863211D+01 -0.911771D+01
      4   0.161892D+02  0.132137D+02  0.105261D+02  0.212276D+02  0.212562D+02
      5   0.200462D+02  0.103876D+02  0.174502D+02  0.101211D+02  0.919885D+01
      6   0.609928D+01  0.325195D+01  0.428301D+01  0.406262D+01  0.412553D+01
                96            97            98            99           100 
      1   0.647612D+01  0.323728D+02  0.139991D+02  0.152173D+02  0.505582D+02
      2  -0.183474D+01 -0.183263D+02 -0.645694D+01 -0.118959D+02 -0.293725D+02
      3  -0.464138D+01 -0.140466D+02 -0.754220D+01 -0.332137D+01 -0.211857D+02
      4   0.948077D+01  0.207609D+02  0.167333D+02  0.179484D+02 -0.155751D+02
      5   0.126900D+02  0.291970D+02  0.201939D+02  0.348234D+02 -0.163307D+02
      6   0.756570D+01  0.872420D+01  0.104031D+02  0.106888D+02  0.140123D+01
               101           102           103           104           105 
      1  -0.162935D+02 -0.122396D+02 -0.332346D+02  0.133697D+02  0.881514D+01
      2   0.100631D+02  0.878373D+01  0.191813D+02 -0.704128D+01 -0.703332D+01
      3   0.623041D+01  0.345585D+01  0.140533D+02 -0.632846D+01 -0.178182D+01
      4   0.117143D+02  0.527370D+01  0.182088D+02 -0.172660D+02 -0.753235D+01
      5   0.634384D+01  0.134124D+02  0.121940D+02 -0.810946D+01 -0.912392D+01
      6  -0.557266D+00  0.224103D+00 -0.180626D+01  0.186617D+01  0.300143D+01
               106           107           108           109           110 
      1  -0.165172D+02  0.641192D+01  0.110086D+02  0.301950D+01  0.724711D+01
      2   0.119478D+02 -0.551782D+01 -0.945724D+01 -0.143927D+01 -0.411072D+01
      3   0.456943D+01 -0.894102D+00 -0.155131D+01 -0.158022D+01 -0.313638D+01
      4   0.641447D+01 -0.688476D+01 -0.361669D+01  0.548654D+01  0.539262D+01
      5   0.180630D+02 -0.406939D+01 -0.120250D+02 -0.369271D+01 -0.717313D+00
      6  -0.427999D+00  0.366132D+01  0.104634D+01 -0.258910D+01  0.964561D+00
               111           112           113           114           115 
      1  -0.475219D+01  0.121106D+02 -0.233200D+01  0.597891D+01 -0.781279D+01
      2   0.211152D+01 -0.392456D+01  0.121447D+02 -0.555945D+01  0.435417D+01
      3   0.264066D+01 -0.818601D+01 -0.981272D+01 -0.419460D+00  0.345863D+01
      4  -0.109114D+01  0.205729D+02  0.396988D+02 -0.179057D+02 -0.824262D+01
      5   0.474049D+01 -0.664387D+01 -0.200857D+02  0.170198D+02  0.153101D+02
      6   0.561777D+00 -0.571071D+01 -0.176988D+02  0.131623D+02  0.673708D+01
               116           117           118           119           120 
      1   0.690067D+01 -0.180795D+01 -0.275279D+01 -0.607306D+01 -0.456904D+01
      2  -0.596087D+01 -0.170988D+01  0.283809D+01  0.775579D+01  0.447321D+01
      3  -0.939804D+00  0.351782D+01 -0.852938D-01 -0.168273D+01  0.958313D-01
      4  -0.216734D+02  0.190143D+02  0.594148D+01  0.804452D+01  0.526127D+01
      5   0.221508D+02 -0.196934D+02  0.251267D+01  0.335966D+01  0.481366D+01
      6   0.164421D+02 -0.134168D+02  0.730484D+01  0.711773D+01  0.583743D+01
               121           122           123           124           125 
      1  -0.511578D+01 -0.237317D+02 -0.904055D+01 -0.706863D+01 -0.184678D+02
      2   0.680160D+01  0.292095D+02  0.996527D+01  0.578356D+01  0.180813D+02
      3  -0.168583D+01 -0.547776D+01 -0.924722D+00  0.128507D+01  0.386541D+00
      4   0.364969D+01  0.384361D+01  0.350116D+01  0.575046D+01  0.583457D+01
      5   0.170109D+01  0.251674D+01  0.118634D+01  0.500817D+01  0.355206D+01
      6   0.435338D+01  0.146694D+02  0.144425D+02  0.761243D+01  0.265297D+02
               126           127           128           129           130 
      1  -0.192855D+02 -0.176416D+01  0.271977D+01 -0.210792D+01 -0.278179D+01
      2   0.135776D+02  0.486412D+01 -0.555780D+01  0.255237D+01  0.896598D+00
      3   0.570790D+01 -0.309996D+01  0.283803D+01 -0.444451D+00  0.188519D+01
      4   0.430158D+01 -0.397001D+01  0.106493D+02 -0.410787D+01  0.566965D+01
      5   0.315888D+01  0.208497D+01 -0.258003D+01  0.375819D+01 -0.179822D+01
      6   0.239330D+02 -0.478159D+01  0.479187D+01 -0.100031D+01  0.101305D+01
               131           132           133           134           135 
      1  -0.424115D+02  0.137048D+02  0.859741D-01  0.222638D+02 -0.170381D+02
      2   0.595624D+02 -0.179827D+02  0.104406D+01 -0.268736D+02  0.157037D+02
      3  -0.171509D+02  0.427787D+01 -0.113003D+01  0.460978D+01  0.133448D+01
      4  -0.969552D+01  0.420515D+01 -0.377762D+01  0.549881D+01 -0.326702D+01
      5   0.320326D+01 -0.140366D+01  0.306796D+01 -0.185119D+01  0.228799D+01
      6  -0.273157D+02  0.165594D+02  0.159659D+01  0.274070D+02 -0.168184D+02
               136           137           138           139           140 
      1   0.146601D+02 -0.495875D+01  0.834408D+00 -0.703303D+01  0.654627D+01
      2  -0.762166D-01  0.659387D+01  0.790349D+01  0.103331D+02 -0.221403D+01
      3  -0.145839D+02 -0.163512D+01 -0.873790D+01 -0.330004D+01 -0.433225D+01
      4  -0.816919D+01 -0.361383D+01 -0.178044D+01 -0.898488D+01  0.141326D+02
      5   0.186184D+01 -0.642974D+01 -0.148849D+02 -0.795363D+01 -0.187968D+02
      6  -0.510244D+01 -0.871962D+01 -0.241299D+01 -0.129369D+02  0.187022D+02
               141           142           143           144           145 
      1  -0.402187D+01 -0.948307D+00 -0.173060D+01 -0.101640D+02  0.595832D+01
      2   0.135687D+02  0.750987D+01  0.100698D+02  0.342565D+01 -0.201564D+01
      3  -0.954685D+01 -0.656157D+01 -0.833920D+01  0.673839D+01 -0.394268D+01
      4  -0.149940D+02 -0.577707D+00 -0.980728D+01 -0.325011D+01 -0.154290D+02
      5  -0.801577D+01 -0.186516D+02 -0.563684D+01 -0.987927D+01 -0.187699D+02
      6  -0.180899D+02 -0.191963D+01 -0.137265D+02 -0.773128D+01  0.927106D+00
               146           147           148           149           150 
      1  -0.165004D+02 -0.163516D+02 -0.210974D+02 -0.203878D+02 -0.745053D+01
      2   0.133003D+02  0.638779D+01  0.191772D+02  0.900239D-01  0.633747D+01
      3   0.320004D+01  0.996386D+01  0.192016D+01  0.202978D+02  0.111306D+01
      4  -0.213456D+02 -0.281494D+01 -0.359996D+02  0.330466D+02 -0.167132D+02
      5  -0.306145D+01 -0.180880D+02 -0.494678D+01 -0.152024D+02 -0.113739D+02
      6  -0.173888D+01  0.784452D+00 -0.226928D+01  0.234393D+01 -0.565549D+00
               151           152           153           154           155 
      1  -0.222944D+02 -0.666787D+01 -0.190865D+02 -0.818310D+01  0.196531D+00
      2   0.659067D+01  0.588588D+01  0.163952D+02  0.153019D+01 -0.564502D+00
      3   0.157037D+02  0.781990D+00  0.269129D+01  0.665291D+01  0.367971D+00
      4  -0.370403D+01 -0.174890D+02 -0.938954D+01  0.539171D+01  0.336325D+00
      5  -0.246821D+02 -0.100282D+02  0.304668D+02 -0.150870D+02  0.201337D+01
      6   0.808354D+00  0.121441D+01 -0.358125D+01  0.191994D+01 -0.292776D+01
               156           157           158           159           160 
      1   0.826449D+01  0.149544D+01 -0.250589D+01 -0.112966D+01  0.499388D+01
      2   0.278277D+01 -0.161833D+01  0.120825D+01 -0.234965D+01  0.228275D+01
      3  -0.110473D+02  0.122889D+00  0.129764D+01  0.347931D+01 -0.727663D+01
      4  -0.780493D+00  0.145765D+01 -0.714106D+00  0.146987D+01 -0.809090D+00
      5   0.343272D+01  0.263163D+01  0.599766D+00  0.141834D+01  0.619168D+01
      6   0.186337D+01 -0.143677D+01 -0.846284D+00  0.376958D+01  0.447224D+00
               161           162           163           164           165 
      1  -0.815238D+00 -0.397792D+01  0.720588D+01  0.305525D+01  0.148438D+01
      2  -0.111721D+01 -0.230762D+01 -0.115432D+02 -0.430083D+01 -0.119065D+02
      3   0.193245D+01  0.628555D+01  0.433731D+01  0.124559D+01  0.104222D+02
      4  -0.853039D-01  0.143402D+01  0.586400D+01  0.598817D+01  0.394940D+01
      5   0.410656D+00 -0.393820D+01  0.181940D+02  0.738417D+01  0.205206D+02
      6   0.279134D+01  0.126376D+01  0.581833D+01  0.638811D+01  0.449218D+01
               166           167           168           169           170 
      1   0.411146D+01 -0.228518D+01 -0.409997D+01  0.486377D+00 -0.243091D+01
      2  -0.645801D+01 -0.247378D+01 -0.940290D+01 -0.972089D+01 -0.579562D+01
      3   0.234655D+01  0.475896D+01  0.135029D+02  0.923451D+01  0.822654D+01
      4   0.714373D+01  0.679432D+01  0.860029D+01  0.294710D+01  0.534114D+01
      5   0.113501D+02  0.113394D+02  0.148704D+02  0.166529D+02  0.814081D+01
      6   0.790008D+01  0.876061D+01  0.130611D+02  0.436429D+01  0.896041D+01
               171           172           173           174           175 
      1  -0.756594D+01 -0.299164D+00 -0.149233D+01  0.111755D+00 -0.790627D+00
      2  -0.176161D+02  0.557292D-01 -0.593356D+00 -0.245491D+01 -0.197175D+01
      3   0.251821D+02  0.243435D+00  0.208569D+01  0.234315D+01  0.276238D+01
      4   0.619359D+01 -0.549494D+01  0.860605D+01 -0.392680D+01  0.106406D+02
      5   0.244970D+02  0.534815D+01 -0.540699D+01  0.800623D+01 -0.679259D+01
      6   0.102197D+02 -0.500304D+01  0.566307D+01 -0.291788D+01  0.826828D+01
               176           177           178           179           180 
      1  -0.155344D+02  0.116895D+02 -0.807219D+00  0.701945D+01 -0.701128D+01
      2   0.173675D+02 -0.403372D+01 -0.171140D+01 -0.112684D+01 -0.929518D+00
      3  -0.183313D+01 -0.765576D+01  0.251862D+01 -0.589261D+01  0.794080D+01
      4  -0.212911D+02  0.109328D+02 -0.211952D+01  0.570337D+01 -0.541258D+01
      5   0.125709D+02 -0.937166D+01  0.621981D+01 -0.530413D+01  0.787856D+01
      6  -0.305078D+02  0.212406D+02 -0.297226D+01  0.138605D+02 -0.113903D+02
               181           182           183           184           185 
      1   0.103360D+02  0.295051D+01 -0.103134D+02  0.604152D+01  0.314394D+01
      2  -0.827718D+01 -0.202538D+01  0.749065D+01 -0.432953D+01 -0.116751D+01
      3  -0.205884D+01 -0.925129D+00  0.282272D+01 -0.171199D+01 -0.197642D+01
      4   0.217943D+01  0.425338D+01  0.307299D+00  0.760353D+01 -0.105704D+01
      5  -0.126961D+02 -0.532128D+00  0.157126D+02 -0.192177D+01 -0.428680D+01
      6   0.765378D+00 -0.392082D+00 -0.103767D+01 -0.121418D+01 -0.613423D+00
               186           187           188           189           190 
      1  -0.436194D+00 -0.182119D+02  0.786656D+00  0.895902D+01  0.155668D+02
      2   0.134798D+01  0.139625D+02  0.714125D+00 -0.184360D+02 -0.343370D+01
      3  -0.911785D+00  0.424936D+01 -0.150078D+01  0.947698D+01 -0.121331D+02
      4  -0.450972D+01  0.173718D+01 -0.618537D+01  0.268385D+01 -0.160437D+02
      5   0.558978D+01  0.257083D+02  0.331057D+01 -0.473675D+02  0.438591D+01
      6   0.386435D+01 -0.197341D+01  0.367155D+01  0.428145D+01 -0.971715D+00
               191           192           193           194           195 
      1  -0.107930D+02  0.403553D+01 -0.193821D+02  0.806785D+01  0.544172D+00
      2   0.143288D+01 -0.134389D+01  0.362971D+00  0.161720D+02 -0.252703D+01
      3   0.936017D+01 -0.269164D+01  0.190191D+02 -0.242399D+02  0.198286D+01
      4   0.192032D+02 -0.262362D+01  0.353173D+02 -0.536152D+02  0.888073D+01
      5  -0.199372D+01  0.525227D+01 -0.219449D+01  0.753219D+01 -0.858265D+01
      6   0.713392D+00 -0.805437D+00  0.122163D+01 -0.229446D+01  0.583222D+01
               196           197           198           199           200 
      1   0.845861D+01 -0.840520D+00  0.384606D+01  0.493366D+02  0.160571D+02
      2  -0.274449D+01 -0.179283D+01 -0.118230D+01 -0.256554D+02 -0.861410D+01
      3  -0.571412D+01  0.263335D+01 -0.266375D+01 -0.236812D+02 -0.744303D+01
      4  -0.556298D+01  0.101016D+02 -0.722327D+01  0.164527D+02  0.141472D+02
      5   0.968894D+01 -0.711149D+01  0.260540D+01  0.177712D+02  0.617597D+01
      6  -0.307728D+01  0.556535D+01 -0.249651D+01  0.846476D+00  0.702310D+00
               201           202           203           204           205 
      1   0.159184D+02  0.304375D+02  0.147647D+02  0.752451D+01  0.270943D+02
      2  -0.888764D+01 -0.156650D+02 -0.430870D+01 -0.474585D+01 -0.151492D+02
      3  -0.703074D+01 -0.147724D+02 -0.104561D+02 -0.277866D+01 -0.119451D+02
      4   0.603213D+01  0.223609D+02  0.155912D+02  0.107159D+02  0.763174D+01
      5   0.141443D+02  0.973684D+01  0.977310D+01  0.119168D+02  0.205812D+02
      6   0.705587D-01  0.185232D+01  0.178642D+01  0.237027D+01  0.106796D+01
               206           207           208           209           210 
      1   0.619440D+01  0.139008D+02 -0.176841D+01  0.194429D+01 -0.190462D+01
      2  -0.417412D+01 -0.110317D+02  0.389455D+01 -0.206004D+01  0.803154D+00
      3  -0.202028D+01 -0.286905D+01 -0.212614D+01  0.115757D+00  0.110146D+01
      4   0.113697D+02  0.854035D+01  0.981322D+00  0.716351D+01 -0.758605D+00
      5   0.876386D+01  0.154278D+02 -0.135145D+01  0.238832D+00  0.271122D+01
      6   0.210800D+01  0.190395D+01 -0.206437D+01  0.767817D+00  0.716280D+00
               211           212           213           214           215 
      1  -0.624877D+00 -0.239748D+02  0.412911D+01 -0.213776D+01  0.105627D+02
      2   0.234660D+01  0.397846D+02 -0.825036D+01 -0.822188D+00 -0.183969D+02
      3  -0.172172D+01 -0.158098D+02  0.412125D+01  0.295995D+01  0.783425D+01
      4   0.646965D+01  0.136497D+02 -0.185691D+01 -0.257273D+01 -0.580310D+01
      5   0.311454D-01 -0.154323D+01  0.253829D+01  0.295918D+01  0.393857D+01
      6  -0.123526D+00 -0.707258D+01  0.737837D+01  0.218923D+01  0.121075D+02
               216           217           218           219           220 
      1  -0.592198D+01  0.240753D+01 -0.268164D+01 -0.141015D+01 -0.299276D+01
      2   0.616533D+01 -0.423542D+01  0.293866D+00 -0.260495D+01  0.212980D+01
      3  -0.243355D+00  0.182789D+01  0.238777D+01  0.401510D+01  0.862963D+00
      4   0.474628D+01  0.731753D+01  0.938835D+01  0.870285D+01  0.607276D+01
      5  -0.871607D+00  0.105111D+02  0.762230D+01  0.117720D+02  0.393224D+01
      6  -0.463432D+01  0.725492D+01  0.792099D+01  0.762134D+01  0.559237D+01
               221           222           223           224           225 
      1  -0.106425D+02 -0.667584D+01 -0.189880D+01 -0.104345D+02 -0.171101D+02
      2   0.858522D+01  0.274031D+01 -0.248853D+01 -0.389113D+00 -0.582380D+01
      3   0.205732D+01  0.393553D+01  0.438733D+01  0.108236D+02  0.229339D+02
      4   0.105330D+02  0.762139D+01  0.888000D+01  0.103102D+02  0.134583D+02
      5   0.776909D+01  0.676422D+01  0.118109D+02  0.123001D+02  0.205180D+02
      6   0.120893D+02  0.137223D+02  0.897920D+01  0.198276D+02  0.246133D+02
               226           227           228           229           230 
      1   0.179031D+02 -0.937802D+01 -0.374467D+01 -0.620129D+01 -0.348588D+01
      2  -0.370326D+01  0.703552D-01  0.174219D+01 -0.285748D+01  0.139680D+02
      3  -0.141998D+02  0.930766D+01  0.200248D+01  0.905877D+01 -0.104821D+02
      4  -0.282154D+02  0.227506D+02  0.100980D+02  0.199441D+02 -0.277699D+02
      5  -0.105154D+02  0.798164D+01  0.915506D+01  0.546453D+01 -0.787060D+01
      6   0.613347D+01 -0.665541D+01 -0.548156D+01 -0.510872D+01  0.930909D+01
               231           232           233           234 
      1  -0.148354D+01 -0.436376D+01  0.101173D+01  0.204832D+01
      2   0.298395D+01  0.187185D+01  0.361013D+01 -0.921352D+00
      3  -0.150042D+01  0.249192D+01 -0.462186D+01 -0.112697D+01
      4  -0.958318D+01  0.114929D+02 -0.138262D+02 -0.715538D+01
      5  -0.573535D+01  0.905495D+01 -0.468333D+01 -0.688827D+01
      6   0.648801D+01 -0.651346D+01  0.443558D+01  0.592702D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:52:35 2021, MaxMem= 17179869184 cpu:           14694.5 elap:            1227.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.43964 -10.43736 -10.43414 -10.43347 -10.43259
 Alpha  occ. eigenvalues --  -10.43223 -10.42763 -10.42536 -10.42263 -10.41972
 Alpha  occ. eigenvalues --   -1.01296  -0.94066  -0.88058  -0.85828  -0.82122
 Alpha  occ. eigenvalues --   -0.80632  -0.76197  -0.69594  -0.64690  -0.61418
 Alpha  occ. eigenvalues --   -0.58578  -0.57643  -0.56187  -0.55173  -0.53401
 Alpha  occ. eigenvalues --   -0.51967  -0.51234  -0.49664  -0.49182  -0.48546
 Alpha  occ. eigenvalues --   -0.47867  -0.47277  -0.45772  -0.43035  -0.41203
 Alpha  occ. eigenvalues --   -0.36705  -0.35300  -0.32857
 Alpha virt. eigenvalues --    0.04667   0.06380   0.07090   0.07593   0.09068
 Alpha virt. eigenvalues --    0.09516   0.10075   0.10206   0.12299   0.13457
 Alpha virt. eigenvalues --    0.13788   0.14896   0.15452   0.15544   0.16876
 Alpha virt. eigenvalues --    0.17752   0.18769   0.18875   0.19243   0.20463
 Alpha virt. eigenvalues --    0.20717   0.21284   0.21718   0.22199   0.23820
 Alpha virt. eigenvalues --    0.24214   0.24675   0.25744   0.26059   0.26831
 Alpha virt. eigenvalues --    0.28082   0.28538   0.29783   0.30259   0.30697
 Alpha virt. eigenvalues --    0.30946   0.31490   0.32569   0.32688   0.33190
 Alpha virt. eigenvalues --    0.33416   0.34115   0.34727   0.35228   0.35348
 Alpha virt. eigenvalues --    0.35923   0.36352   0.36602   0.37092   0.37533
 Alpha virt. eigenvalues --    0.38618   0.38784   0.38894   0.39404   0.39826
 Alpha virt. eigenvalues --    0.40082   0.40458   0.40702   0.41429   0.41543
 Alpha virt. eigenvalues --    0.41976   0.42206   0.42653   0.43132   0.43520
 Alpha virt. eigenvalues --    0.43968   0.44457   0.44939   0.45430   0.45967
 Alpha virt. eigenvalues --    0.46660   0.47570   0.47797   0.48155   0.48807
 Alpha virt. eigenvalues --    0.49099   0.49336   0.50624   0.50723   0.50803
 Alpha virt. eigenvalues --    0.51354   0.52502   0.52666   0.53298   0.54053
 Alpha virt. eigenvalues --    0.54447   0.54667   0.54898   0.55628   0.55753
 Alpha virt. eigenvalues --    0.56722   0.57064   0.57387   0.57915   0.58107
 Alpha virt. eigenvalues --    0.58500   0.58912   0.59658   0.60761   0.60869
 Alpha virt. eigenvalues --    0.61407   0.62056   0.62929   0.63005   0.63681
 Alpha virt. eigenvalues --    0.64380   0.64985   0.65591   0.66181   0.66865
 Alpha virt. eigenvalues --    0.67368   0.68042   0.69432   0.70033   0.70312
 Alpha virt. eigenvalues --    0.72030   0.72892   0.73866   0.74639   0.75468
 Alpha virt. eigenvalues --    0.76917   0.77515   0.77950   0.79465   0.79782
 Alpha virt. eigenvalues --    0.80827   0.81713   0.82833   0.83259   0.84804
 Alpha virt. eigenvalues --    0.85074   0.86315   0.87563   0.88141   0.89677
 Alpha virt. eigenvalues --    0.92072   0.98476   0.99699   1.01162   1.02776
 Alpha virt. eigenvalues --    1.04699   1.04877   1.05711   1.06033   1.07012
 Alpha virt. eigenvalues --    1.07278   1.08496   1.08895   1.09495   1.09858
 Alpha virt. eigenvalues --    1.10864   1.11677   1.12847   1.13849   1.14309
 Alpha virt. eigenvalues --    1.15190   1.15535   1.16915   1.18315   1.20769
 Alpha virt. eigenvalues --    1.22358   1.22900   1.24546   1.26050   1.26632
 Alpha virt. eigenvalues --    1.28573   1.30166   1.31289   1.32394   1.35164
 Alpha virt. eigenvalues --    1.37292   1.37911   1.39395   1.40762   1.41018
 Alpha virt. eigenvalues --    1.42404   1.43261   1.43887   1.45018   1.45864
 Alpha virt. eigenvalues --    1.46785   1.48751   1.49286   1.53539   1.54615
 Alpha virt. eigenvalues --    1.56019   1.57097   1.58919   1.62527   1.65587
 Alpha virt. eigenvalues --    1.66367   1.70365   1.74274   1.75978   1.77955
 Alpha virt. eigenvalues --    1.78719   1.80203   1.81292   1.81647   1.82071
 Alpha virt. eigenvalues --    1.85329   1.85471   1.86702   1.88041   1.90554
 Alpha virt. eigenvalues --    1.93030   1.93588   1.94497   1.95553   1.96905
 Alpha virt. eigenvalues --    1.97085   2.00790   2.01712   2.04125   2.06656
 Alpha virt. eigenvalues --    2.07080   2.09940   2.10047   2.11029   2.11670
 Alpha virt. eigenvalues --    2.13851   2.14171   2.15286   2.16304   2.17696
 Alpha virt. eigenvalues --    2.19167   2.19501   2.20546   2.23060   2.23236
 Alpha virt. eigenvalues --    2.24231   2.26556   2.27187   2.27280   2.29275
 Alpha virt. eigenvalues --    2.30546   2.32074   2.32669   2.34451   2.35048
 Alpha virt. eigenvalues --    2.37125   2.38012   2.40336   2.43289   2.45167
 Alpha virt. eigenvalues --    2.46664   2.48357   2.50686   2.51269   2.51417
 Alpha virt. eigenvalues --    2.56197   2.56751   2.59532   2.60753   2.63727
 Alpha virt. eigenvalues --    2.65199   2.66259   2.66737   2.67221   2.69197
 Alpha virt. eigenvalues --    2.72367   2.73081   2.74851   2.76922   2.77370
 Alpha virt. eigenvalues --    2.82236   2.83948   2.89329   2.93482   2.94318
 Alpha virt. eigenvalues --    2.95484   3.01350   3.03283   3.06139   3.07612
 Alpha virt. eigenvalues --    3.11230   3.16163   3.16842   3.17344   3.18702
 Alpha virt. eigenvalues --    3.20865   3.21530   3.24894   3.26247   3.27361
 Alpha virt. eigenvalues --    3.29858   3.30884   3.33412   3.34753   3.45570
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.968734  -0.058026  -0.034208   0.290600   0.036964  -0.241358
     2  C   -0.058026   6.749499  -0.143375  -0.242757   0.014333   0.307503
     3  C   -0.034208  -0.143375   6.859125   0.105744  -0.398022  -0.534170
     4  C    0.290600  -0.242757   0.105744   7.603936   0.121034  -0.524792
     5  C    0.036964   0.014333  -0.398022   0.121034   5.310117  -0.246047
     6  C   -0.241358   0.307503  -0.534170  -0.524792  -0.246047   8.208662
     7  C   -0.193231  -0.058037  -0.320124  -0.176866   0.014018   0.147055
     8  C   -0.134957  -0.124151  -0.040451  -0.037912   0.019896  -0.126992
     9  H    0.078157  -0.248204  -0.945780   0.065471   0.008571   0.016919
    10  H   -0.102337   0.145483   0.127906   0.062986  -0.001386   0.027930
    11  H    0.003216   0.001058  -0.001825   0.046281   0.192466   0.046258
    12  H   -0.000083   0.000731   0.034184   0.145150   0.198408  -0.095233
    13  H   -0.006706   0.000068   0.019688  -0.008375   0.264257   0.050691
    14  H    0.022118  -0.059141   0.024060   0.061520  -0.003460   0.013607
    15  H    0.007427  -0.024855   0.000587  -0.053066   0.001003  -0.052156
    16  C   -0.124213  -0.114477  -0.095094  -0.048260   0.002552   0.031129
    17  C   -0.378000  -0.372909   0.080199   0.022213  -0.000211   0.003231
    18  H   -0.142825  -0.110349   0.006789  -0.035885   0.008609  -0.056332
    19  H    0.014510   0.048014   0.010989   0.002493  -0.000414   0.003349
    20  H    0.059843   0.017854  -0.025879   0.007016  -0.000543  -0.005021
    21  H   -0.077039  -0.081698   0.007601   0.002821   0.000010   0.001062
    22  H   -0.005944   0.042010   0.005920  -0.000454  -0.000035  -0.000572
    23  H    0.034586  -0.003117  -0.002162  -0.001126  -0.000007  -0.000156
    24  H   -0.153435   0.030508  -0.056409  -0.005843  -0.018043   0.141814
    25  H   -0.168206   0.052235   0.148635  -0.197846  -0.023791   0.130349
    26  H    0.026178   0.038174   0.084942   0.110245  -0.041912  -0.466894
               7          8          9         10         11         12
     1  C   -0.193231  -0.134957   0.078157  -0.102337   0.003216  -0.000083
     2  C   -0.058037  -0.124151  -0.248204   0.145483   0.001058   0.000731
     3  C   -0.320124  -0.040451  -0.945780   0.127906  -0.001825   0.034184
     4  C   -0.176866  -0.037912   0.065471   0.062986   0.046281   0.145150
     5  C    0.014018   0.019896   0.008571  -0.001386   0.192466   0.198408
     6  C    0.147055  -0.126992   0.016919   0.027930   0.046258  -0.095233
     7  C    6.329589  -0.122965   0.113012  -0.950201  -0.001541   0.003641
     8  C   -0.122965   9.387874  -0.283352  -0.263995  -0.000481  -0.000948
     9  H    0.113012  -0.283352   3.638182  -0.226709   0.000609  -0.000498
    10  H   -0.950201  -0.263995  -0.226709   3.299465  -0.000060  -0.000012
    11  H   -0.001541  -0.000481   0.000609  -0.000060   0.636233  -0.063624
    12  H    0.003641  -0.000948  -0.000498  -0.000012  -0.063624   0.721364
    13  H   -0.002549  -0.002127  -0.001059   0.000026   0.056212  -0.037300
    14  H    0.118177  -0.011002  -0.003437   0.035747  -0.000052  -0.000424
    15  H    0.325001   0.021232   0.013224  -0.300834   0.000122  -0.000002
    16  C   -0.119569  -0.718451   0.148826   0.121714  -0.000133   0.000067
    17  C    0.103917  -0.068482  -0.193624  -0.205452  -0.000000   0.000015
    18  H    0.004299   0.109883   0.018559   0.015707  -0.000377   0.000695
    19  H   -0.017220   0.289467  -0.004837   0.007032  -0.000006  -0.000009
    20  H    0.014180   0.283169   0.000944  -0.004929  -0.000033  -0.000004
    21  H    0.009253   0.103271  -0.057572  -0.052772   0.000000   0.000000
    22  H   -0.003900   0.254054  -0.029167   0.017197  -0.000000   0.000000
    23  H    0.008165   0.255725   0.015068  -0.028373  -0.000000  -0.000000
    24  H    0.032420  -0.028408   0.055625  -0.006038   0.018192  -0.005590
    25  H    0.010261  -0.005636  -0.398355   0.003337  -0.001486   0.003997
    26  H   -0.454453   0.031135  -0.002735   0.032600  -0.009574  -0.004157
              13         14         15         16         17         18
     1  C   -0.006706   0.022118   0.007427  -0.124213  -0.378000  -0.142825
     2  C    0.000068  -0.059141  -0.024855  -0.114477  -0.372909  -0.110349
     3  C    0.019688   0.024060   0.000587  -0.095094   0.080199   0.006789
     4  C   -0.008375   0.061520  -0.053066  -0.048260   0.022213  -0.035885
     5  C    0.264257  -0.003460   0.001003   0.002552  -0.000211   0.008609
     6  C    0.050691   0.013607  -0.052156   0.031129   0.003231  -0.056332
     7  C   -0.002549   0.118177   0.325001  -0.119569   0.103917   0.004299
     8  C   -0.002127  -0.011002   0.021232  -0.718451  -0.068482   0.109883
     9  H   -0.001059  -0.003437   0.013224   0.148826  -0.193624   0.018559
    10  H    0.000026   0.035747  -0.300834   0.121714  -0.205452   0.015707
    11  H    0.056212  -0.000052   0.000122  -0.000133  -0.000000  -0.000377
    12  H   -0.037300  -0.000424  -0.000002   0.000067   0.000015   0.000695
    13  H    0.553020  -0.000040   0.000074   0.001856   0.000002  -0.001075
    14  H   -0.000040   0.825307  -0.098062  -0.012828   0.012804   0.005834
    15  H    0.000074  -0.098062   1.063671  -0.003713   0.006171  -0.009029
    16  C    0.001856  -0.012828  -0.003713   6.067976  -0.558395   0.575580
    17  C    0.000002   0.012804   0.006171  -0.558395   6.091997  -0.036445
    18  H   -0.001075   0.005834  -0.009029   0.575580  -0.036445   1.148845
    19  H   -0.000052  -0.010244  -0.001084  -0.162305   0.012388  -0.129277
    20  H   -0.000049   0.000548  -0.000031  -0.185501   0.007643  -0.130226
    21  H    0.000001   0.000921   0.000537  -0.016251   0.501740  -0.003754
    22  H    0.000001   0.000238  -0.000255   0.009002  -0.066970  -0.000169
    23  H   -0.000001   0.000763   0.000094   0.011803  -0.064154   0.001167
    24  H    0.001087   0.002582   0.001793  -0.001337   0.013034   0.003419
    25  H    0.023204   0.000521  -0.000365  -0.011064   0.006073  -0.008561
    26  H   -0.004909   0.021814  -0.098211   0.000745  -0.000884   0.000583
              19         20         21         22         23         24
     1  C    0.014510   0.059843  -0.077039  -0.005944   0.034586  -0.153435
     2  C    0.048014   0.017854  -0.081698   0.042010  -0.003117   0.030508
     3  C    0.010989  -0.025879   0.007601   0.005920  -0.002162  -0.056409
     4  C    0.002493   0.007016   0.002821  -0.000454  -0.001126  -0.005843
     5  C   -0.000414  -0.000543   0.000010  -0.000035  -0.000007  -0.018043
     6  C    0.003349  -0.005021   0.001062  -0.000572  -0.000156   0.141814
     7  C   -0.017220   0.014180   0.009253  -0.003900   0.008165   0.032420
     8  C    0.289467   0.283169   0.103271   0.254054   0.255725  -0.028408
     9  H   -0.004837   0.000944  -0.057572  -0.029167   0.015068   0.055625
    10  H    0.007032  -0.004929  -0.052772   0.017197  -0.028373  -0.006038
    11  H   -0.000006  -0.000033   0.000000  -0.000000  -0.000000   0.018192
    12  H   -0.000009  -0.000004   0.000000   0.000000  -0.000000  -0.005590
    13  H   -0.000052  -0.000049   0.000001   0.000001  -0.000001   0.001087
    14  H   -0.010244   0.000548   0.000921   0.000238   0.000763   0.002582
    15  H   -0.001084  -0.000031   0.000537  -0.000255   0.000094   0.001793
    16  C   -0.162305  -0.185501  -0.016251   0.009002   0.011803  -0.001337
    17  C    0.012388   0.007643   0.501740  -0.066970  -0.064154   0.013034
    18  H   -0.129277  -0.130226  -0.003754  -0.000169   0.001167   0.003419
    19  H    0.906160  -0.083373  -0.000410  -0.000556  -0.007379  -0.000950
    20  H   -0.083373   0.930207  -0.001523  -0.000538   0.002583  -0.015241
    21  H   -0.000410  -0.001523   0.766546  -0.085696  -0.086150   0.001215
    22  H   -0.000556  -0.000538  -0.085696   0.785686  -0.024895  -0.000077
    23  H   -0.007379   0.002583  -0.086150  -0.024895   0.787458   0.000471
    24  H   -0.000950  -0.015241   0.001215  -0.000077   0.000471   1.002141
    25  H    0.000244   0.001454   0.001053   0.000225  -0.000080  -0.050290
    26  H    0.000750  -0.000685  -0.000039   0.000018  -0.000093  -0.020645
              25         26
     1  C   -0.168206   0.026178
     2  C    0.052235   0.038174
     3  C    0.148635   0.084942
     4  C   -0.197846   0.110245
     5  C   -0.023791  -0.041912
     6  C    0.130349  -0.466894
     7  C    0.010261  -0.454453
     8  C   -0.005636   0.031135
     9  H   -0.398355  -0.002735
    10  H    0.003337   0.032600
    11  H   -0.001486  -0.009574
    12  H    0.003997  -0.004157
    13  H    0.023204  -0.004909
    14  H    0.000521   0.021814
    15  H   -0.000365  -0.098211
    16  C   -0.011064   0.000745
    17  C    0.006073  -0.000884
    18  H   -0.008561   0.000583
    19  H    0.000244   0.000750
    20  H    0.001454  -0.000685
    21  H    0.001053  -0.000039
    22  H    0.000225   0.000018
    23  H   -0.000080  -0.000093
    24  H   -0.050290  -0.020645
    25  H    1.334275  -0.013841
    26  H   -0.013841   1.960640
 Mulliken charges:
               1
     1  C    0.278234
     2  C    0.193627
     3  C    1.081130
     4  C   -1.314327
     5  C    0.541631
     6  C   -0.779837
     7  C    1.187665
     8  C   -2.785394
     9  H   -0.777839
    10  H   -0.754032
    11  H    0.078545
    12  H    0.099631
    13  H    0.094055
    14  H    0.052129
    15  H    0.200729
    16  C    1.200339
    17  C    1.084095
    18  H   -0.235665
    19  H    0.122718
    20  H    0.128137
    21  H    0.066871
    22  H    0.104879
    23  H    0.099809
    24  H    0.058004
    25  H    0.163658
    26  H   -0.188793
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.499604
     2  C   -0.560405
     3  C    1.302792
     4  C   -1.314327
     5  C    0.813863
     6  C   -0.968630
     7  C    1.440523
     8  C   -2.785394
    16  C    1.215528
    17  C    1.355654
 Electronic spatial extent (au):  <R**2>=           1563.1242
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0272    Y=             -0.1221    Z=             -0.1046  Tot=              0.1631
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.9989   YY=            -62.1012   ZZ=            -63.8695
   XY=              0.6325   XZ=             -0.7090   YZ=              0.5827
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0090   YY=              0.8887   ZZ=             -0.8796
   XY=              0.6325   XZ=             -0.7090   YZ=              0.5827
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.2818  YYY=              2.3763  ZZZ=             -3.3891  XYY=             -1.5045
  XXY=              0.1341  XXZ=              0.9122  XZZ=              2.3153  YZZ=             -0.9793
  YYZ=              0.3974  XYZ=             -1.9795
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1416.6975 YYYY=           -453.5741 ZZZZ=           -325.9608 XXXY=              1.4001
 XXXZ=             -4.4119 YYYX=             -4.8202 YYYZ=             -5.2831 ZZZX=             -1.9126
 ZZZY=              5.0166 XXYY=           -308.4480 XXZZ=           -285.0200 YYZZ=           -125.0801
 XXYZ=              6.5208 YYXZ=             -1.0814 ZZXY=              5.2982
 N-N= 5.515317654388D+02 E-N=-2.003447491819D+03  KE= 3.850466769754D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:52:35 2021, MaxMem= 17179869184 cpu:               2.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3680   -0.3686        2.0000    2.0042
 2      0.3680    0.3686       -1.1725   -1.1744       -5.1791   -5.1768
 3     -2.0000   -2.0042       14.4916   14.4917        1.1687    1.1744
 4      1.1725    1.1744        0.0000    0.0000       -1.9955   -2.0042
 5     -9.3125   -9.3148        1.9955    2.0042       -0.3638   -0.3686
 6     -1.1687   -1.1744        0.3638    0.3686        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1059    1.1059        6.0126    6.0126
 2      3.5231    3.5231        0.0000    0.0000        6.0126    6.0126
 3      3.5231    3.5231        1.1059    1.1059       -0.0000    0.0000
 4      1.1059    1.1059       -3.5231   -3.5231      -15.5305  -15.5305
 5     -6.0126   -6.0126       43.4750   43.4750        3.5231    3.5231
 6    -27.9444  -27.9444        6.0126    6.0126       -1.1059   -1.1059
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2150    0.0000        1.1243    1.4745       -8.1761   -8.0168
 2     -1.2253   -1.4745        4.3186    4.6975       20.6066   20.7074
 3      8.2612    8.0168      -58.0271  -57.9666       -4.7808   -4.6975
 4     -5.0828   -4.6975       -0.1683    0.0000        8.1661    8.0168
 5     37.0962   37.2592       -8.2588   -8.0168        1.0363    1.4745
 6      4.8032    4.6975       -1.7217   -1.4745        0.1242    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4115    0.0000       20.4369   20.4373       -7.7447   -8.4434
 2    -21.1950  -20.4373       36.1326   37.3464       17.2156   17.0929
 3      8.1951    8.4434       10.6401   11.2049      -38.2235  -37.3464
 4    -37.0193  -37.3464       -0.0618    0.0000        7.9836    8.4434
 5    -28.5248  -28.2979       -9.0237   -8.4434       19.7622   20.4373
 6     37.5787   37.3464      -20.4710  -20.4373       -0.2435    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.1114  -18.9224       22.7516   22.6832       15.2992   15.9433
 2    -79.1555  -79.9340       49.1602   49.2496       15.1693   15.9433
 3    -78.8359  -79.9340       22.6469   22.6832       19.0814   20.0757
 4    -27.5499  -26.5664       61.1484   61.0116       27.3240   26.8890
 5      4.2939    4.1324       13.0254   13.8781      -61.8520  -61.0116
 6    -40.6024  -40.7670       -4.5673   -4.1324       25.8774   26.5664
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      0.7615                 1.8741                 0.3395
  Dep-P Fr= 1--      0.7364                 0.7474                 0.7459
  Dep-U Fr= 1--      0.8482                 0.8554                 0.8545
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1076                 0.2672                 0.0483
 AlphaG Fr= 1--      0.0012                 0.0030                 0.0009
 Gamma2 Fr= 1--     -0.0500                 0.0306                 0.1266
 Delta2 Fr= 1--     -0.0280                -0.0228                 0.0069
 Raman1 Fr= 1--       3.046                  7.497                  1.358
 ROA1   Fr= 1--      -5.701                  2.205                 12.370
 CID1   Fr= 1--      -1.872                  0.294                  9.109
 Raman2 Fr= 1--       1.292                  3.206                  0.580
 ROA2   Fr= 1--      -0.977                  0.916                  2.982
 CID2   Fr= 1--      -0.756                  0.286                  5.140
 Raman3 Fr= 1--       2.583                  6.413                  1.160
 ROA3   Fr= 1--      -5.701                  2.205                 12.370
 CID3   Fr= 1--      -2.207                  0.344                 10.661
 RC180  Fr= 1--       0.696                  0.711                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.0966                 1.0233                 0.6687
  Dep-P Fr= 1--      0.7446                 0.7497                 0.0459
  Dep-U Fr= 1--      0.8536                 0.8570                 0.0878
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0133
 Beta2  Fr= 1--      0.0137                 0.1462                 0.0098
 AlphaG Fr= 1--      0.0011                -0.0005                 0.0117
 Gamma2 Fr= 1--     -0.0098                 0.0831                 0.0139
 Delta2 Fr= 1--     -0.0201                -0.0071                -0.0092
 Raman1 Fr= 1--       0.386                  4.093                  2.675
 ROA1   Fr= 1--      -1.585                  7.752                  1.038
 CID1   Fr= 1--      -4.102                  1.894                  0.388
 Raman2 Fr= 1--       0.165                  1.754                  0.117
 ROA2   Fr= 1--      -0.075                  2.051                  0.407
 CID2   Fr= 1--      -0.455                  1.169                  3.466
 Raman3 Fr= 1--       0.330                  3.508                  0.235
 ROA3   Fr= 1--      -1.585                  7.752                  1.038
 CID3   Fr= 1--      -4.805                  2.210                  4.422
 RC180  Fr= 1--       0.707                  0.714                 -0.824
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.6013                 0.4916                 1.7200
  Dep-P Fr= 1--      0.7165                 0.7365                 0.4254
  Dep-U Fr= 1--      0.8348                 0.8482                 0.5969
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0116
 Beta2  Fr= 1--      0.0837                 0.0695                 0.1711
 AlphaG Fr= 1--     -0.0029                -0.0044                -0.0005
 Gamma2 Fr= 1--     -0.0062                -0.3451                -0.1237
 Delta2 Fr= 1--      0.1304                -0.0976                 0.0117
 Raman1 Fr= 1--       2.405                  1.966                  6.880
 ROA1   Fr= 1--       3.576                -36.254                -11.500
 CID1   Fr= 1--       1.487                -18.436                 -1.671
 Raman2 Fr= 1--       1.004                  0.834                  2.053
 ROA2   Fr= 1--      -1.192                 -7.501                 -3.062
 CID2   Fr= 1--      -1.187                 -8.994                 -1.491
 Raman3 Fr= 1--       2.008                  1.668                  4.107
 ROA3   Fr= 1--       3.576                -36.254                -11.500
 CID3   Fr= 1--       1.781                -21.734                 -2.800
 RC180  Fr= 1--       0.670                  0.696                  0.194
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      0.9475                 2.3663                 1.3107
  Dep-P Fr= 1--      0.1930                 0.4352                 0.7096
  Dep-U Fr= 1--      0.3235                 0.6064                 0.8301
 Alpha2 Fr= 1--      0.0131                 0.0154                 0.0009
 Beta2  Fr= 1--      0.0511                 0.2392                 0.1813
 AlphaG Fr= 1--      0.0084                -0.0064                 0.0057
 Gamma2 Fr= 1--      0.0473                 0.0473                -0.1151
 Delta2 Fr= 1--     -0.1491                 0.1203                -0.1727
 Raman1 Fr= 1--       3.790                  9.465                  5.243
 ROA1   Fr= 1--      -0.231                  8.393                -16.572
 CID1   Fr= 1--      -0.061                  0.887                 -3.161
 Raman2 Fr= 1--       0.613                  2.870                  2.176
 ROA2   Fr= 1--       2.329                  0.173                 -1.380
 CID2   Fr= 1--       3.799                  0.060                 -0.634
 Raman3 Fr= 1--       1.226                  5.740                  4.352
 ROA3   Fr= 1--      -0.231                  8.393                -16.572
 CID3   Fr= 1--      -0.188                  1.462                 -3.808
 RC180  Fr= 1--      -0.353                  0.213                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2926                 2.2229                 3.3232
  Dep-P Fr= 1--      0.7269                 0.6753                 0.5260
  Dep-U Fr= 1--      0.8418                 0.8062                 0.6894
 Alpha2 Fr= 1--      0.0001                 0.0029                 0.0145
 Beta2  Fr= 1--      0.0411                 0.2987                 0.3818
 AlphaG Fr= 1--      0.0012                -0.0021                -0.0119
 Gamma2 Fr= 1--      0.0898                 0.0834                -0.3693
 Delta2 Fr= 1--      0.1066                -0.0054                 0.1245
 Raman1 Fr= 1--       1.171                  8.892                 13.293
 ROA1   Fr= 1--      12.036                  7.836                -31.466
 CID1   Fr= 1--      10.283                  0.881                 -2.367
 Raman2 Fr= 1--       0.493                  3.584                  4.582
 ROA2   Fr= 1--       1.303                  2.045                 -9.859
 CID2   Fr= 1--       2.645                  0.570                 -2.152
 Raman3 Fr= 1--       0.985                  7.168                  9.164
 ROA3   Fr= 1--      12.036                  7.836                -31.466
 CID3   Fr= 1--      12.215                  1.093                 -3.434
 RC180  Fr= 1--       0.684                  0.612                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--      9.4550                14.6065                 6.4966
  Dep-P Fr= 1--      0.1613                 0.0752                 0.4554
  Dep-U Fr= 1--      0.2779                 0.1399                 0.6258
 Alpha2 Fr= 1--      0.1420                 0.2716                 0.0390
 Beta2  Fr= 1--      0.4379                 0.3406                 0.6776
 AlphaG Fr= 1--      0.0659                 0.1860                -0.1881
 Gamma2 Fr= 1--     -0.7832                -0.8588                 1.2361
 Delta2 Fr= 1--     -0.3503                -0.9099                 1.1899
 Raman1 Fr= 1--      37.820                 58.426                 25.986
 ROA1   Fr= 1--     -86.395               -111.566                156.742
 CID1   Fr= 1--      -2.284                 -1.910                  6.032
 Raman2 Fr= 1--       5.254                  4.087                  8.131
 ROA2   Fr= 1--     -15.994                -13.333                 20.148
 CID2   Fr= 1--      -3.044                 -3.262                  2.478
 Raman3 Fr= 1--      10.509                  8.174                 16.261
 ROA3   Fr= 1--     -86.395               -111.566                156.742
 CID3   Fr= 1--      -8.221                -13.649                  9.639
 RC180  Fr= 1--      -0.444                 -0.720                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      1.9124                 6.8186                 0.7607
  Dep-P Fr= 1--      0.5919                 0.0793                 0.5399
  Dep-U Fr= 1--      0.7436                 0.1469                 0.7012
 Alpha2 Fr= 1--      0.0056                 0.1256                 0.0031
 Beta2  Fr= 1--      0.2370                 0.1669                 0.0889
 AlphaG Fr= 1--      0.0660                -0.2862                 0.0034
 Gamma2 Fr= 1--      3.4214                -1.6358                -0.9088
 Delta2 Fr= 1--      1.8117                -1.1624                -0.5498
 Raman1 Fr= 1--       7.650                 27.274                  3.043
 ROA1   Fr= 1--     386.429               -194.237               -104.836
 CID1   Fr= 1--      50.516                 -7.122                -34.453
 Raman2 Fr= 1--       2.844                  2.003                  1.067
 ROA2   Fr= 1--      67.620                -29.961                -17.412
 CID2   Fr= 1--      23.774                -14.958                -16.321
 Raman3 Fr= 1--       5.689                  4.006                  2.134
 ROA3   Fr= 1--     386.429               -194.237               -104.836
 CID3   Fr= 1--      67.930                -48.485                -49.134
 RC180  Fr= 1--       0.487                 -0.706                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.5418                 3.1143                 5.9172
  Dep-P Fr= 1--      0.6282                 0.5463                 0.7448
  Dep-U Fr= 1--      0.7717                 0.7066                 0.8538
 Alpha2 Fr= 1--      0.0012                 0.0122                 0.0005
 Beta2  Fr= 1--      0.0697                 0.3668                 0.8420
 AlphaG Fr= 1--      0.0167                 0.0819                 0.0077
 Gamma2 Fr= 1--      0.5310                -0.9786                 1.2319
 Delta2 Fr= 1--      0.1500                -0.9454                 0.6858
 Raman1 Fr= 1--       2.167                 12.457                 23.669
 ROA1   Fr= 1--      55.775               -124.203                140.210
 CID1   Fr= 1--      25.736                 -9.970                  5.924
 Raman2 Fr= 1--       0.836                  4.401                 10.104
 ROA2   Fr= 1--      11.544                -15.924                 24.079
 CID2   Fr= 1--      13.806                 -3.618                  2.383
 Raman3 Fr= 1--       1.672                  8.803                 20.208
 ROA3   Fr= 1--      55.775               -124.203                140.210
 CID3   Fr= 1--      33.352                -14.110                  6.939
 RC180  Fr= 1--       0.543                  0.413                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.6126                 1.5394                 4.4513
  Dep-P Fr= 1--      0.7490                 0.6157                 0.5649
  Dep-U Fr= 1--      0.8565                 0.7622                 0.7219
 Alpha2 Fr= 1--      0.0000                 0.0038                 0.0156
 Beta2  Fr= 1--      0.2302                 0.1955                 0.5356
 AlphaG Fr= 1--     -0.0007                 0.0162                 0.1036
 Gamma2 Fr= 1--      0.3954                 0.4382                -3.5067
 Delta2 Fr= 1--      0.0073                 0.3714                -1.2138
 Raman1 Fr= 1--       6.450                  6.157                 17.805
 ROA1   Fr= 1--      38.188                 53.953               -375.486
 CID1   Fr= 1--       5.920                  8.762                -21.089
 Raman2 Fr= 1--       2.762                  2.346                  6.427
 ROA2   Fr= 1--       9.431                  7.546                -74.450
 CID2   Fr= 1--       3.414                  3.216                -11.584
 Raman3 Fr= 1--       5.525                  4.693                 12.854
 ROA3   Fr= 1--      38.188                 53.953               -375.486
 CID3   Fr= 1--       6.913                 11.497                -29.211
 RC180  Fr= 1--       0.713                  0.524                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.7449                 4.2927                 1.2191
  Dep-P Fr= 1--      0.5573                 0.3161                 0.5254
  Dep-U Fr= 1--      0.7157                 0.4804                 0.6889
 Alpha2 Fr= 1--      0.0064                 0.0419                 0.0053
 Beta2  Fr= 1--      0.2081                 0.3437                 0.1400
 AlphaG Fr= 1--      0.0001                 0.0198                -0.0524
 Gamma2 Fr= 1--     -0.6779                -0.3082                 1.6428
 Delta2 Fr= 1--     -0.3566                -0.1937                 0.6991
 Raman1 Fr= 1--       6.980                 17.171                  4.877
 ROA1   Fr= 1--     -76.487                -35.781                180.082
 CID1   Fr= 1--     -10.959                 -2.084                 36.928
 Raman2 Fr= 1--       2.498                  4.124                  1.680
 ROA2   Fr= 1--     -13.416                 -5.847                 33.835
 CID2   Fr= 1--      -5.371                 -1.418                 20.144
 Raman3 Fr= 1--       4.995                  8.248                  3.359
 ROA3   Fr= 1--     -76.487                -35.781                180.082
 CID3   Fr= 1--     -15.312                 -4.338                 53.608
 RC180  Fr= 1--       0.431                 -0.039                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.6579                 1.8398                 2.1437
  Dep-P Fr= 1--      0.4970                 0.5515                 0.7493
  Dep-U Fr= 1--      0.6640                 0.7110                 0.8567
 Alpha2 Fr= 1--      0.0133                 0.0070                 0.0000
 Beta2  Fr= 1--      0.2941                 0.2180                 0.3061
 AlphaG Fr= 1--      0.0040                 0.0140                 0.0012
 Gamma2 Fr= 1--     -0.3936                 0.1581                -2.6646
 Delta2 Fr= 1--     -0.0271                 0.0052                -1.0330
 Raman1 Fr= 1--      10.632                  7.359                  8.575
 ROA1   Fr= 1--     -38.651                 15.348               -288.855
 CID1   Fr= 1--      -3.635                  2.086                -33.687
 Raman2 Fr= 1--       3.530                  2.616                  3.673
 ROA2   Fr= 1--      -9.229                  3.753                -55.685
 CID2   Fr= 1--      -2.615                  1.435                -15.161
 Raman3 Fr= 1--       7.059                  5.232                  7.346
 ROA3   Fr= 1--     -38.651                 15.348               -288.855
 CID3   Fr= 1--      -5.475                  2.934                -39.321
 RC180  Fr= 1--       0.328                  0.422                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      1.9407                 3.8589                 3.6076
  Dep-P Fr= 1--      0.6134                 0.6201                 0.5181
  Dep-U Fr= 1--      0.7604                 0.7655                 0.6826
 Alpha2 Fr= 1--      0.0049                 0.0092                 0.0163
 Beta2  Fr= 1--      0.2459                 0.4923                 0.4104
 AlphaG Fr= 1--     -0.0103                -0.0107                 0.0214
 Gamma2 Fr= 1--      3.2326                 0.0574                -0.7844
 Delta2 Fr= 1--      2.6453                -0.1164                -0.4207
 Raman1 Fr= 1--       7.763                 15.436                 14.430
 ROA1   Fr= 1--     394.978                  1.786                -88.761
 CID1   Fr= 1--      50.882                  0.116                 -6.151
 Raman2 Fr= 1--       2.951                  5.908                  4.925
 ROA2   Fr= 1--      56.420                  2.309                -15.459
 CID2   Fr= 1--      19.117                  0.391                 -3.139
 Raman3 Fr= 1--       5.902                 11.816                  9.850
 ROA3   Fr= 1--     394.978                  1.786                -88.761
 CID3   Fr= 1--      66.918                  0.151                 -9.011
 RC180  Fr= 1--       0.521                  0.531                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.3226                 4.3688                 0.8826
  Dep-P Fr= 1--      0.6891                 0.7479                 0.3006
  Dep-U Fr= 1--      0.8159                 0.8558                 0.4622
 Alpha2 Fr= 1--      0.0014                 0.0002                 0.0090
 Beta2  Fr= 1--      0.1799                 0.6231                 0.0680
 AlphaG Fr= 1--     -0.0424                 0.0093                -0.0058
 Gamma2 Fr= 1--      2.3974                -0.7833                -0.1059
 Delta2 Fr= 1--      0.7510                -0.0822                 0.0913
 Raman1 Fr= 1--       5.290                 17.475                  3.530
 ROA1   Fr= 1--     254.180                -77.827                 -7.241
 CID1   Fr= 1--      48.046                 -4.454                 -2.051
 Raman2 Fr= 1--       2.158                  7.477                  0.816
 ROA2   Fr= 1--      51.529                -18.141                 -3.271
 CID2   Fr= 1--      23.875                 -2.426                 -4.009
 Raman3 Fr= 1--       4.316                 14.955                  1.632
 ROA3   Fr= 1--     254.180                -77.827                 -7.241
 CID3   Fr= 1--      58.886                 -5.204                 -4.437
 RC180  Fr= 1--       0.632                  0.712                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--      9.8793                 3.4179                 2.7623
  Dep-P Fr= 1--      0.3043                 0.6541                 0.6917
  Dep-U Fr= 1--      0.4667                 0.7909                 0.8177
 Alpha2 Fr= 1--      0.1000                 0.0059                 0.0028
 Beta2  Fr= 1--      0.7684                 0.4505                 0.3765
 AlphaG Fr= 1--     -0.0045                -0.0019                -0.0042
 Gamma2 Fr= 1--      0.2683                 2.6297                -1.7465
 Delta2 Fr= 1--      0.3123                 1.3353                -1.2112
 Raman1 Fr= 1--      39.517                 13.672                 11.049
 ROA1   Fr= 1--      35.750                295.181               -206.417
 CID1   Fr= 1--       0.905                 21.591                -18.682
 Raman2 Fr= 1--       9.221                  5.407                  4.518
 ROA2   Fr= 1--       3.940                 52.430                -32.225
 CID2   Fr= 1--       0.427                  9.697                 -7.133
 Raman3 Fr= 1--      18.441                 10.813                  9.035
 ROA3   Fr= 1--      35.750                295.181               -206.417
 CID3   Fr= 1--       1.939                 27.298                -22.846
 RC180  Fr= 1--      -0.067                  0.582                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     10.9011                 0.8691                 8.3200
  Dep-P Fr= 1--      0.4682                 0.6753                 0.3778
  Dep-U Fr= 1--      0.6378                 0.8062                 0.5484
 Alpha2 Fr= 1--      0.0620                 0.0011                 0.0666
 Beta2  Fr= 1--      1.1588                 0.1168                 0.7604
 AlphaG Fr= 1--      0.0285                 0.0010                -0.0195
 Gamma2 Fr= 1--     -3.1516                 0.0293                -0.7858
 Delta2 Fr= 1--     -1.9252                -0.0033                -0.6651
 Raman1 Fr= 1--      43.604                  3.476                 33.280
 ROA1   Fr= 1--    -364.163                  2.711                -96.718
 CID1   Fr= 1--      -8.352                  0.780                 -2.906
 Raman2 Fr= 1--      13.906                  1.401                  9.125
 ROA2   Fr= 1--     -60.238                  0.730                -13.539
 CID2   Fr= 1--      -4.332                  0.521                 -1.484
 Raman3 Fr= 1--      27.812                  2.803                 18.250
 ROA3   Fr= 1--    -364.163                  2.711                -96.718
 CID3   Fr= 1--     -13.094                  0.967                 -5.300
 RC180  Fr= 1--       0.276                  0.612                  0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      3.7692                10.4410                 3.5499
  Dep-P Fr= 1--      0.1508                 0.1694                 0.5895
  Dep-U Fr= 1--      0.2621                 0.2898                 0.7417
 Alpha2 Fr= 1--      0.0581                 0.1536                 0.0106
 Beta2  Fr= 1--      0.1647                 0.5043                 0.4388
 AlphaG Fr= 1--      0.0103                -0.0075                 0.0238
 Gamma2 Fr= 1--     -0.1144                 1.0332                -1.9616
 Delta2 Fr= 1--     -0.0389                 0.3806                -1.3468
 Raman1 Fr= 1--      15.077                 41.764                 14.200
 ROA1   Fr= 1--     -12.228                111.365               -231.415
 CID1   Fr= 1--      -0.811                  2.667                -16.297
 Raman2 Fr= 1--       1.976                  6.051                  5.266
 ROA2   Fr= 1--      -2.435                 21.751                -36.304
 CID2   Fr= 1--      -1.232                  3.594                 -6.894
 Raman3 Fr= 1--       3.952                 12.102                 10.532
 ROA3   Fr= 1--     -12.228                111.365               -231.415
 CID3   Fr= 1--      -3.094                  9.202                -21.972
 RC180  Fr= 1--      -0.476                 -0.420                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      8.4293                25.9841                10.5728
  Dep-P Fr= 1--      0.5623                 0.5320                 0.7093
  Dep-U Fr= 1--      0.7198                 0.6945                 0.8299
 Alpha2 Fr= 1--      0.0300                 0.1095                 0.0075
 Beta2  Fr= 1--      1.0112                 3.0078                 1.4624
 AlphaG Fr= 1--      0.0484                -0.1172                 0.0407
 Gamma2 Fr= 1--      1.0412                 4.4760                -5.4288
 Delta2 Fr= 1--      3.1216                 1.5998                -3.9668
 Raman1 Fr= 1--      33.717                103.936                 42.291
 ROA1   Fr= 1--     199.850                480.895               -648.101
 CID1   Fr= 1--       5.927                  4.627                -15.325
 Raman2 Fr= 1--      12.135                 36.094                 17.549
 ROA2   Fr= 1--       0.016                 94.626                -98.557
 CID2   Fr= 1--       0.001                  2.622                 -5.616
 Raman3 Fr= 1--      24.270                 72.187                 35.099
 ROA3   Fr= 1--     199.850                480.895               -648.101
 CID3   Fr= 1--       8.235                  6.662                -18.465
 RC180  Fr= 1--       0.440                  0.389                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     13.2615                 0.6632                 1.2018
  Dep-P Fr= 1--      0.5628                 0.6559                 0.7285
  Dep-U Fr= 1--      0.7202                 0.7922                 0.8429
 Alpha2 Fr= 1--      0.0471                 0.0011                 0.0004
 Beta2  Fr= 1--      1.5919                 0.0876                 0.1688
 AlphaG Fr= 1--      0.0142                -0.0004                -0.0024
 Gamma2 Fr= 1--      1.3892                 0.3193                 0.7052
 Delta2 Fr= 1--      1.5040                 0.0177                 0.3706
 Raman1 Fr= 1--      53.046                  2.653                  4.807
 ROA1   Fr= 1--     181.488                 31.215                 79.559
 CID1   Fr= 1--       3.421                 11.766                 16.550
 Raman2 Fr= 1--      19.102                  1.051                  2.026
 ROA2   Fr= 1--      21.308                  7.521                 13.960
 CID2   Fr= 1--       1.115                  7.157                  6.890
 Raman3 Fr= 1--      38.205                  2.102                  4.052
 ROA3   Fr= 1--     181.488                 31.215                 79.559
 CID3   Fr= 1--       4.750                 14.852                 19.634
 RC180  Fr= 1--       0.440                  0.584                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      6.7271                52.3555               105.8309
  Dep-P Fr= 1--      0.7355                 0.1321                 0.1649
  Dep-U Fr= 1--      0.8476                 0.2333                 0.2831
 Alpha2 Fr= 1--      0.0017                 0.8468                 1.5749
 Beta2  Fr= 1--      0.9503                 2.0359                 4.9942
 AlphaG Fr= 1--      0.0016                -0.1079                 0.4045
 Gamma2 Fr= 1--      0.0551                -0.1627                -1.5684
 Delta2 Fr= 1--      0.2158                -0.2279                -2.2409
 Raman1 Fr= 1--      26.908                209.422                423.324
 ROA1   Fr= 1--      12.197                -22.908               -222.274
 CID1   Fr= 1--       0.453                 -0.109                 -0.525
 Raman2 Fr= 1--      11.404                 24.430                 59.931
 ROA2   Fr= 1--      -0.404                 -2.081                -19.713
 CID2   Fr= 1--      -0.035                 -0.085                 -0.329
 Raman3 Fr= 1--      22.807                 48.861                119.861
 ROA3   Fr= 1--      12.197                -22.908               -222.274
 CID3   Fr= 1--       0.535                 -0.469                 -1.854
 RC180  Fr= 1--       0.695                 -0.533                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    144.2612               102.2439               245.4184
  Dep-P Fr= 1--      0.1794                 0.2055                 0.0539
  Dep-U Fr= 1--      0.3042                 0.3409                 0.1023
 Alpha2 Fr= 1--      2.0680                 1.3684                 4.8030
 Beta2  Fr= 1--      7.3146                 5.8096                 4.1832
 AlphaG Fr= 1--     -0.6505                -0.3646                 0.1020
 Gamma2 Fr= 1--      2.2608               -22.1238                27.7340
 Delta2 Fr= 1--      1.5270               -12.7715                11.6744
 Raman1 Fr= 1--     577.045                408.976                981.674
 ROA1   Fr= 1--     265.897              -2532.573               3036.048
 CID1   Fr= 1--       0.461                 -6.192                  3.093
 Raman2 Fr= 1--      87.775                 69.716                 50.199
 ROA2   Fr= 1--      42.042               -428.799                572.222
 CID2   Fr= 1--       0.479                 -6.151                 11.399
 Raman3 Fr= 1--     175.549                139.431                100.398
 ROA3   Fr= 1--     265.897              -2532.573               3036.048
 CID3   Fr= 1--       1.515                -18.164                 30.240
 RC180  Fr= 1--      -0.392                 -0.318                 -0.795
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    114.1682               159.9631               310.0092
  Dep-P Fr= 1--      0.7454                 0.0244                 0.0302
  Dep-U Fr= 1--      0.8541                 0.0477                 0.0587
 Alpha2 Fr= 1--      0.0089                 3.3570                 6.4177
 Beta2  Fr= 1--     16.2525                 1.2712                 3.0305
 AlphaG Fr= 1--      0.0566                 0.2087                -0.3793
 Gamma2 Fr= 1--    -13.3676                 2.1299                 2.3107
 Delta2 Fr= 1--     -0.6700                -0.5049                -1.4570
 Raman1 Fr= 1--     456.673                639.852               1240.037
 ROA1   Fr= 1--   -1304.727                188.315                175.202
 CID1   Fr= 1--      -2.857                  0.294                  0.141
 Raman2 Fr= 1--     195.030                 15.254                 36.365
 ROA2   Fr= 1--    -315.462                 55.157                 67.113
 CID2   Fr= 1--      -1.618                  3.616                  1.846
 Raman3 Fr= 1--     390.059                 30.508                 72.731
 ROA3   Fr= 1--   -1304.727                188.315                175.202
 CID3   Fr= 1--      -3.345                  6.173                  2.409
 RC180  Fr= 1--       0.708                 -0.905                 -0.883
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--     98.5601                17.6981               150.8087
  Dep-P Fr= 1--      0.7393                 0.7499                 0.7494
  Dep-U Fr= 1--      0.8501                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0180                 0.0000                 0.0015
 Beta2  Fr= 1--     13.9642                 2.5282                21.5345
 AlphaG Fr= 1--      0.1581                 0.0010                 0.0295
 Gamma2 Fr= 1--      2.9625                 0.2795                 0.3919
 Delta2 Fr= 1--      5.2815                -0.0783                 2.9119
 Raman1 Fr= 1--     394.240                 70.792                603.235
 ROA1   Fr= 1--     453.412                 24.329                130.801
 CID1   Fr= 1--       1.150                  0.344                  0.217
 Raman2 Fr= 1--     167.571                 30.338                258.414
 ROA2   Fr= 1--      28.849                  7.334                -13.890
 CID2   Fr= 1--       0.172                  0.242                 -0.054
 Raman3 Fr= 1--     335.142                 60.677                516.828
 ROA3   Fr= 1--     453.412                 24.329                130.801
 CID3   Fr= 1--       1.353                  0.401                  0.253
 RC180  Fr= 1--       0.700                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     55.1875                59.5000                45.4267
  Dep-P Fr= 1--      0.7473                 0.7080                 0.5228
  Dep-U Fr= 1--      0.8554                 0.8290                 0.6866
 Alpha2 Fr= 1--      0.0025                 0.0434                 0.2008
 Beta2  Fr= 1--      7.8677                 8.2213                 5.1984
 AlphaG Fr= 1--      0.0038                -0.0733                -0.2165
 Gamma2 Fr= 1--      0.6910                -1.9508                -3.7402
 Delta2 Fr= 1--     -0.3981                -1.5928                -0.2072
 Raman1 Fr= 1--     220.750                238.000                181.707
 ROA1   Fr= 1--      53.595               -238.249               -365.685
 CID1   Fr= 1--       0.243                 -1.001                 -2.013
 Raman2 Fr= 1--      94.413                 98.655                 62.380
 ROA2   Fr= 1--      19.768                -34.077                -88.106
 CID2   Fr= 1--       0.209                 -0.345                 -1.412
 Raman3 Fr= 1--     188.826                197.310                124.761
 ROA3   Fr= 1--      53.595               -238.249               -365.685
 CID3   Fr= 1--       0.284                 -1.207                 -2.931
 RC180  Fr= 1--       0.711                  0.658                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     74.7198               127.6997               205.1049
  Dep-P Fr= 1--      0.7239                 0.2832                 0.0872
  Dep-U Fr= 1--      0.8398                 0.4414                 0.1604
 Alpha2 Fr= 1--      0.0335                 1.3763                 3.7050
 Beta2  Fr= 1--     10.4587                 9.3955                 5.4827
 AlphaG Fr= 1--     -0.0400                -0.0256                -0.0972
 Gamma2 Fr= 1--     -1.9185                -2.8078                -0.1836
 Delta2 Fr= 1--      0.3209                -1.0804                 0.3891
 Raman1 Fr= 1--     298.879                510.799                820.420
 ROA1   Fr= 1--    -173.905               -304.120                 -5.174
 CID1   Fr= 1--      -0.582                 -0.595                 -0.006
 Raman2 Fr= 1--     125.505                112.746                 65.793
 ROA2   Fr= 1--     -48.611                -58.744                 -7.520
 CID2   Fr= 1--      -0.387                 -0.521                 -0.114
 Raman3 Fr= 1--     251.009                225.491                131.585
 ROA3   Fr= 1--    -173.905               -304.120                 -5.174
 CID3   Fr= 1--      -0.693                 -1.349                 -0.039
 RC180  Fr= 1--       0.680                 -0.117                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129472D+03  0.400842D+01  0.737242D+00
      2   0.400842D+01  0.119118D+03  0.234874D+01
      3   0.737242D+00  0.234874D+01  0.100488D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.844975D+00  0.308509D+00  0.292860D+01
      2   0.813487D+01 -0.770150D+01  0.990334D+01
      3   0.175087D+02  0.274431D+02  0.644743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186583D+02 -0.486357D+02  0.829650D+01
      2  -0.132051D+00  0.480218D+02 -0.117792D+02
      3   0.187903D+02  0.613878D+00  0.348266D+01
      4  -0.421997D+02 -0.469055D+02 -0.218904D+02
      5   0.210486D+02 -0.197220D+02  0.330285D+02
      6  -0.106144D+02  0.510531D+01 -0.195165D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248959D+01 -0.515731D+00 -0.194095D+01  0.306857D+00 -0.193278D+01
      2  -0.515731D+00 -0.435650D+00 -0.138851D+01 -0.193278D+01 -0.444492D+01
      3  -0.194095D+01 -0.138851D+01 -0.415915D+01 -0.134370D+00 -0.184082D+00
                 6             7             8             9            10 
      1  -0.134370D+00 -0.362137D+01 -0.232439D+01 -0.414369D+01 -0.200295D+01
      2  -0.184082D+00 -0.232439D+01  0.178489D+01  0.906317D+00  0.996401D+00
      3   0.144660D+01 -0.414369D+01  0.906317D+00  0.105679D+00 -0.119292D+00
                11            12            13            14            15 
      1   0.996401D+00 -0.119292D+00  0.170521D+00 -0.166456D+01  0.135122D+01
      2  -0.105506D+01  0.304903D+01 -0.166456D+01  0.528945D+01  0.407682D+00
      3   0.304903D+01 -0.250046D+01  0.135122D+01  0.407682D+00  0.489604D+00
                16            17            18            19            20 
      1  -0.448934D+00  0.452626D+01 -0.225542D+01 -0.190208D+00 -0.113970D+01
      2   0.452626D+01  0.600674D+00  0.118394D+01 -0.113970D+01 -0.959795D+00
      3  -0.225542D+01  0.118394D+01  0.103149D+00  0.566935D+00  0.137058D+01
                21            22            23            24            25 
      1   0.566935D+00 -0.126207D+01  0.497664D+00  0.118173D+01  0.103799D+01
      2   0.137058D+01  0.497664D+00  0.920484D+01 -0.310734D+00  0.126109D+01
      3   0.191561D+01  0.118173D+01 -0.310734D+00  0.244618D+01  0.300669D+01
                26            27            28            29            30 
      1   0.126109D+01  0.300669D+01 -0.456276D+01 -0.252140D+01 -0.461011D+00
      2  -0.798632D+00  0.465650D+01 -0.252140D+01 -0.327246D+01 -0.935320D+00
      3   0.465650D+01  0.348998D+01 -0.461011D+00 -0.935320D+00 -0.126228D+01
                31            32            33            34            35 
      1  -0.327517D+01 -0.572494D+01 -0.202506D+01 -0.936616D+00 -0.163080D+01
      2  -0.572494D+01 -0.166821D+02 -0.583795D+00 -0.163080D+01 -0.145610D+01
      3  -0.202506D+01 -0.583795D+00 -0.344397D+01 -0.254630D+01 -0.300446D+01
                36            37            38            39            40 
      1  -0.254630D+01  0.292702D+01  0.561874D+00  0.848045D+00 -0.484930D+00
      2  -0.300446D+01  0.561874D+00  0.410778D+01  0.260149D+01  0.565666D+01
      3  -0.165603D+01  0.848045D+00  0.260149D+01  0.191209D+01  0.217501D+01
                41            42            43            44            45 
      1   0.565666D+01  0.217501D+01  0.144682D+01  0.238816D+01  0.402048D+01
      2   0.486108D+01 -0.283820D+01  0.238816D+01 -0.313153D+01  0.409755D+01
      3  -0.283820D+01  0.243590D+01  0.402048D+01  0.409755D+01  0.119769D+01
                46            47            48            49            50 
      1   0.493985D+01  0.166023D+01 -0.382854D+00  0.308157D+01  0.664208D+01
      2   0.166023D+01  0.659561D+01  0.264831D+01  0.664208D+01  0.138455D+02
      3  -0.382854D+00  0.264831D+01  0.155629D+01  0.253169D+01 -0.776815D+00
                51            52            53            54            55 
      1   0.253169D+01  0.444056D-02  0.311492D+01  0.180203D+01 -0.135018D+01
      2  -0.776815D+00  0.311492D+01 -0.118074D+01  0.345532D+01 -0.109377D+01
      3   0.284039D+01  0.180203D+01  0.345532D+01  0.190607D+01 -0.557855D+00
                56            57            58            59            60 
      1  -0.109377D+01 -0.557855D+00 -0.986712D+00 -0.328952D+01 -0.170655D+01
      2  -0.352660D+01 -0.255656D+01 -0.328952D+01 -0.868450D+01  0.127922D+01
      3  -0.255656D+01 -0.754305D+00 -0.170655D+01  0.127922D+01 -0.291382D+01
                61            62            63            64            65 
      1  -0.539283D+00 -0.233420D+01 -0.129036D+01  0.245239D+01  0.130580D+00
      2  -0.233420D+01  0.168619D+01 -0.568236D+01  0.130580D+00  0.114223D+01
      3  -0.129036D+01 -0.568236D+01 -0.171149D+01  0.369224D+01 -0.612389D+00
                66            67            68            69            70 
      1   0.369224D+01  0.346589D+00  0.472943D+01 -0.871787D-01  0.612388D+01
      2  -0.612389D+00  0.472943D+01 -0.381622D+01  0.266648D+01 -0.730949D+00
      3   0.398383D+01 -0.871787D-01  0.266648D+01  0.296884D+00  0.455184D+01
                71            72            73            74            75 
      1  -0.730949D+00  0.455184D+01  0.192019D+01 -0.130651D+01 -0.149394D+01
      2   0.180619D+01  0.102794D+00 -0.130651D+01  0.812364D+00  0.879554D+00
      3   0.102794D+00 -0.180430D+00 -0.149394D+01  0.879554D+00  0.244059D+01
                76            77            78            79            80 
      1  -0.126726D+01  0.575183D+00  0.528928D+00 -0.174256D+01  0.945268D+00
      2   0.575183D+00 -0.174689D+01 -0.208287D+01  0.945268D+00 -0.220048D+01
      3   0.528928D+00 -0.208287D+01 -0.266692D+01  0.206622D+01 -0.279292D+01
                81            82            83            84            85 
      1   0.206622D+01  0.373280D+01  0.178012D+01 -0.182837D+01  0.154277D+01
      2  -0.279292D+01  0.178012D+01  0.173444D+01 -0.164309D+01  0.132459D+01
      3  -0.625098D+01 -0.182837D+01 -0.164309D+01  0.227698D+01 -0.122009D+01
                86            87            88            89            90 
      1   0.132459D+01 -0.122009D+01 -0.227080D+01 -0.170028D+01  0.216998D+01
      2   0.332685D+01 -0.202654D+01 -0.170028D+01 -0.211707D+01  0.208992D+01
      3  -0.202654D+01  0.166629D+01  0.216998D+01  0.208992D+01 -0.339841D+01
                91            92            93            94            95 
      1  -0.449724D+01 -0.183141D+01 -0.224477D+01 -0.230984D+01 -0.279495D+01
      2  -0.183141D+01 -0.143453D+01 -0.117625D+01 -0.279495D+01 -0.303994D+01
      3  -0.224477D+01 -0.117625D+01 -0.183027D+01 -0.114707D+01 -0.115665D+01
                96            97            98            99           100 
      1  -0.114707D+01 -0.495367D+01 -0.259988D+01 -0.324961D+01 -0.590534D+01
      2  -0.115665D+01 -0.259988D+01 -0.215733D+01 -0.257925D+01  0.197814D+01
      3  -0.164038D+01 -0.324961D+01 -0.257925D+01 -0.444221D+01  0.157948D+01
               101           102           103           104           105 
      1   0.197814D+01  0.157948D+01  0.450002D+01 -0.203019D+01 -0.134657D+01
      2  -0.124035D+01 -0.667365D+00 -0.203019D+01  0.200842D+01  0.986665D+00
      3  -0.667365D+00 -0.130553D+01 -0.134657D+01  0.986665D+00  0.994557D+00
               106           107           108           109           110 
      1   0.225628D+01 -0.827714D+00 -0.197432D+01 -0.434728D+00 -0.915278D+00
      2  -0.827714D+00  0.907380D+00  0.416746D+00 -0.915278D+00 -0.630477D-01
      3  -0.197432D+01  0.416746D+00  0.139635D+01  0.549457D+00 -0.221078D+00
               111           112           113           114           115 
      1   0.549457D+00 -0.273888D+01 -0.283255D+01  0.701950D+00  0.176803D+01
      2  -0.221078D+00 -0.283255D+01 -0.668201D+01  0.302753D+01  0.102867D+01
      3  -0.231529D+00  0.701950D+00  0.302753D+01 -0.242491D+01 -0.169858D+01
               116           117           118           119           120 
      1   0.102867D+01 -0.169858D+01  0.171587D+01  0.134661D+01  0.129325D+01
      2   0.362984D+01 -0.325111D+01  0.134661D+01  0.182940D+01  0.126083D+01
      3  -0.325111D+01  0.303545D+01  0.129325D+01  0.126083D+01  0.114695D+01
               121           122           123           124           125 
      1   0.123198D+01  0.164123D+01  0.735813D+00  0.247655D+01  0.151278D+01
      2   0.164123D+01  0.590926D+01  0.220767D+01  0.151278D+01  0.439808D+01
      3   0.735813D+00  0.220767D+01  0.201190D+01  0.136160D+01  0.417734D+01
               126           127           128           129           130 
      1   0.136160D+01 -0.478015D+00  0.123734D+01 -0.707901D+00  0.168237D+01
      2   0.417734D+01  0.123734D+01 -0.944265D+00  0.691478D+00  0.467178D+00
      3   0.450252D+01 -0.707901D+00  0.691478D+00 -0.154388D+00  0.232598D+00
               131           132           133           134           135 
      1   0.467178D+00  0.232598D+00 -0.135556D+01  0.305485D+00  0.213710D+00
      2   0.103046D+02 -0.336278D+01  0.305485D+00 -0.502245D+01  0.375419D+01
      3  -0.336278D+01  0.207162D+01  0.213710D+00  0.375419D+01 -0.240232D+01
               136           137           138           139           140 
      1   0.519031D+01 -0.187634D+01 -0.230064D+01 -0.216010D+01 -0.283552D+01
      2  -0.187634D+01 -0.180660D+01 -0.621864D+00 -0.283552D+01  0.445175D+01
      3  -0.230064D+01 -0.621864D+00 -0.297082D+01 -0.695094D+00 -0.443097D+01
               141           142           143           144           145 
      1  -0.695094D+00 -0.302088D+01 -0.314159D+00 -0.314681D+01 -0.204418D-01
      2  -0.443097D+01 -0.314159D+00 -0.310865D+01 -0.118675D+01 -0.162048D+01
      3  -0.151520D+01 -0.314681D+01 -0.118675D+01  0.819639D-01 -0.263750D+01
               146           147           148           149           150 
      1  -0.162048D+01 -0.263750D+01 -0.194022D+01 -0.508607D+01 -0.552788D+00
      2  -0.299196D+01 -0.348106D+00 -0.508607D+01  0.485622D+01 -0.236090D+01
      3  -0.348106D+00 -0.247727D+01 -0.552788D+00 -0.236090D+01 -0.167145D+01
               151           152           153           154           155 
      1  -0.305997D+01 -0.523266D+00 -0.353019D+01 -0.715612D+01  0.986023D+00
      2  -0.523266D+00 -0.257278D+01 -0.156345D+01  0.986023D+00 -0.697576D+00
      3  -0.353019D+01 -0.156345D+01  0.484469D+01  0.906932D+00  0.329220D+00
               156           157           158           159           160 
      1   0.906932D+00  0.129119D+01 -0.424836D+00  0.164677D+00  0.977087D+00
      2   0.329220D+00 -0.424836D+00 -0.187590D+00  0.655712D+00  0.937225D-01
      3  -0.209419D+01  0.164677D+00  0.655712D+00  0.668665D+00 -0.122737D+01
               161           162           163           164           165 
      1   0.937225D-01 -0.122737D+01  0.254755D+01  0.124805D+01  0.257162D+01
      2   0.536374D+00  0.372196D+00  0.124805D+01  0.121135D+01  0.859939D+00
      3   0.372196D+00  0.925554D+00  0.257162D+01  0.859939D+00  0.327768D+01
               166           167           168           169           170 
      1   0.190042D+01  0.152582D+01  0.144287D+01  0.194598D+01  0.762891D+00
      2   0.152582D+01  0.158216D+01  0.230716D+01  0.762891D+00  0.143807D+01
      3   0.144287D+01  0.230716D+01  0.332950D+01  0.256317D+01  0.175400D+01
               171           172           173           174           175 
      1   0.256317D+01  0.660961D+00 -0.114694D+01  0.116469D+01 -0.142737D+01
      2   0.175400D+01 -0.114694D+01  0.124614D+01 -0.510913D+00  0.184030D+01
      3   0.522535D+01  0.116469D+01 -0.510913D+00  0.119500D+01 -0.785549D+00
               176           177           178           179           180 
      1   0.184030D+01 -0.785549D+00  0.663793D+00 -0.394192D+00  0.947078D+00
      2  -0.673002D+01  0.362997D+01 -0.394192D+00  0.188172D+01 -0.178396D+01
      3   0.362997D+01 -0.315663D+01  0.947078D+00 -0.178396D+01  0.219378D+01
               181           182           183           184           185 
      1   0.127541D+01  0.411646D+00 -0.156076D+01  0.842330D+00  0.936852D+00
      2   0.411646D+00  0.475914D+00 -0.132899D-01  0.936852D+00 -0.150128D+00
      3  -0.156076D+01 -0.132899D-01  0.157231D+01 -0.211607D+00 -0.660132D+00
               186           187           188           189           190 
      1  -0.211607D+00 -0.313407D+01  0.109349D+00  0.304778D+01  0.240561D+01
      2  -0.660132D+00  0.109349D+00 -0.805883D+00  0.498734D+00 -0.183335D+01
      3   0.813358D+00  0.304778D+01  0.498734D+00 -0.684883D+01  0.657899D+00
               191           192           193           194           195 
      1  -0.183335D+01  0.657899D+00 -0.405212D+01  0.421926D+01 -0.386591D+00
      2   0.180669D+01 -0.271262D+00  0.421926D+01 -0.742521D+01  0.124148D+01
      3  -0.271262D+00  0.475725D+00 -0.386591D+00  0.124148D+01 -0.114221D+01
               196           197           198           199           200 
      1   0.150885D+01 -0.666639D+00  0.123235D+01  0.622384D+01  0.197632D+01
      2  -0.666639D+00  0.136714D+01 -0.104428D+01  0.197632D+01  0.150891D+01
      3   0.123235D+01 -0.104428D+01  0.378985D+00  0.214350D+01  0.719673D+00
               201           202           203           204           205 
      1   0.214350D+01  0.427515D+01  0.266669D+01  0.119901D+01  0.400432D+01
      2   0.719673D+00  0.266669D+01  0.187820D+01  0.137264D+01  0.925900D+00
      3   0.151918D+01  0.119901D+01  0.137264D+01  0.153103D+01  0.247274D+01
               206           207           208           209           210 
      1   0.925900D+00  0.247274D+01  0.986779D-01 -0.104003D+01  0.388403D+00
      2   0.140423D+01  0.114983D+01 -0.104003D+01  0.399566D-01 -0.356594D+00
      3   0.114983D+01  0.190130D+01  0.388403D+00 -0.356594D+00 -0.224593D+00
               211           212           213           214           215 
      1  -0.159988D+01 -0.560342D+00 -0.467473D-02  0.140760D+01  0.100333D+00
      2  -0.560342D+00 -0.900842D+01  0.156236D+01  0.100333D+00  0.392452D+01
      3  -0.467473D-02  0.156236D+01 -0.143243D+01 -0.608851D+00 -0.247707D+01
               216           217           218           219           220 
      1  -0.608851D+00 -0.195737D+01 -0.953980D+00 -0.188401D+01 -0.651573D+00
      2  -0.247707D+01 -0.953980D+00 -0.162792D+01 -0.161699D+01 -0.110775D+01
      3   0.100426D+01 -0.188401D+01 -0.161699D+01 -0.197210D+01 -0.901720D+00
               221           222           223           224           225 
      1  -0.110775D+01 -0.901720D+00 -0.264914D+01 -0.134991D+01 -0.222121D+01
      2  -0.379224D+01 -0.227543D+01 -0.134991D+01 -0.290105D+01 -0.402301D+01
      3  -0.227543D+01 -0.219937D+01 -0.222121D+01 -0.402301D+01 -0.646097D+01
               226           227           228           229           230 
      1  -0.504553D+01  0.348160D+01  0.175739D+01  0.298435D+01 -0.243894D+01
      2   0.348160D+01 -0.245500D+01 -0.147052D+01 -0.243894D+01  0.487189D+01
      3   0.175739D+01 -0.147052D+01 -0.133535D+01 -0.104058D+01  0.170533D+01
               231           232           233           234 
      1  -0.104058D+01  0.211123D+01 -0.167844D+01 -0.156296D+01
      2   0.170533D+01 -0.167844D+01  0.208741D+01  0.773256D+00
      3   0.116481D+01 -0.156296D+01  0.773256D+00  0.105887D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898361D+00  0.706401D+00 -0.902221D+00  0.913078D+00  0.960984D+01
      2  -0.324136D+01 -0.304613D-01 -0.308301D+01 -0.190775D+00 -0.418645D+01
      3   0.317827D-01 -0.348967D+01  0.172619D+01  0.759399D+01  0.900818D+01
                 6             7             8             9            10 
      1  -0.151079D+01  0.180776D+01  0.223550D+01  0.511009D+00 -0.104634D+01
      2  -0.173799D+00 -0.134832D+02 -0.352735D+01 -0.611655D+01 -0.215414D+01
      3   0.326694D+01  0.598828D+01 -0.143053D+00  0.415384D+01 -0.118646D+01
                11            12            13            14            15 
      1  -0.363307D+01 -0.699918D+00 -0.210475D+01 -0.887512D+01 -0.439181D+01
      2   0.403498D+01 -0.865310D+00  0.234904D+01  0.507409D+00  0.197077D+01
      3  -0.605531D+01 -0.338687D+01  0.687374D+01 -0.120751D+02  0.240813D+01
                16            17            18            19            20 
      1  -0.437328D+01  0.229908D+01 -0.232771D+01  0.197977D+01  0.364749D+01
      2  -0.670244D+01  0.660364D+01 -0.766745D+00 -0.241914D+01 -0.976463D+00
      3  -0.697875D+01  0.340020D+01 -0.518763D+01 -0.838311D+00 -0.470379D+01
                21            22            23            24            25 
      1   0.229825D+01  0.229412D+01 -0.990674D+01  0.428772D+01  0.448168D+01
      2   0.647293D+00 -0.234135D+01 -0.252103D+00 -0.319634D+01 -0.565628D+01
      3   0.246577D+00  0.520832D+01  0.131548D+02 -0.123962D+01  0.146627D+01
                26            27            28            29            30 
      1   0.171929D+02  0.357980D+01 -0.280865D+00 -0.805519D+00  0.222782D+00
      2  -0.421077D+01 -0.163718D+01 -0.113276D+01  0.587256D+01  0.343186D+01
      3  -0.287350D+01  0.271779D+01 -0.109674D+02 -0.191046D+02 -0.474569D+01
                31            32            33            34            35 
      1   0.274644D+00 -0.347694D+01  0.391389D+00  0.102976D+01  0.100016D+02
      2   0.746407D+01  0.294682D+01  0.929505D+01 -0.333540D+01  0.680994D+01
      3  -0.137402D+02 -0.411644D+02 -0.253230D+01 -0.680922D+01 -0.367163D+01
                36            37            38            39            40 
      1   0.214792D+01  0.120853D+01  0.435594D+01  0.375051D+01  0.374262D+01
      2   0.561654D+01 -0.443498D+01 -0.111386D+02 -0.472806D+01 -0.799601D+01
      3  -0.763771D+01 -0.302166D+01  0.116471D+02  0.906449D+01  0.251297D+02
                41            42            43            44            45 
      1  -0.265016D+01  0.996025D+00  0.782030D+01  0.851652D+01  0.252421D+01
      2   0.974100D+01 -0.954048D+01 -0.198397D+02 -0.192089D+02 -0.569478D+01
      3   0.142316D+02 -0.130290D+02  0.691410D+01 -0.154888D+02  0.117730D+02
                46            47            48            49            50 
      1  -0.347306D+00 -0.239891D+01 -0.162357D+01 -0.132220D+01  0.480604D+01
      2  -0.240575D+01 -0.418562D+01 -0.307763D+01 -0.330661D+01 -0.100174D+01
      3   0.465511D+01  0.722469D+01  0.401416D+01  0.187185D+02  0.442050D+02
                51            52            53            54            55 
      1  -0.403158D+01  0.144568D+00  0.173890D+01 -0.844235D+00  0.144566D+01
      2  -0.774400D+01 -0.129825D+02 -0.105936D+02 -0.412909D+01 -0.160458D+01
      3   0.262404D+01  0.560571D+01  0.286006D+01  0.963079D+01 -0.422802D+01
                56            57            58            59            60 
      1   0.666129D+01  0.234949D+01  0.430224D+01 -0.524718D+01  0.645017D+01
      2   0.854230D+00  0.188024D+01  0.772316D+00  0.742122D+00  0.453944D+00
      3  -0.939560D+01 -0.304166D+01 -0.773066D+00 -0.126407D+02 -0.302912D+01
                61            62            63            64            65 
      1   0.566990D+01  0.220855D+02  0.622995D+01  0.209068D+01  0.267575D+01
      2  -0.289166D+01 -0.167445D+01  0.643812D+00  0.136375D+02 -0.317053D+01
      3  -0.446929D+01 -0.536940D+01 -0.556579D+01  0.101082D+00 -0.819850D+01
                66            67            68            69            70 
      1   0.169088D+01 -0.389267D+01  0.110688D+01 -0.566155D+01  0.264256D+00
      2   0.142661D+02 -0.306690D+00  0.634925D+01  0.122508D+01  0.308277D+01
      3   0.599418D+00 -0.532729D+01  0.728026D+01 -0.559722D+01 -0.601798D+00
                71            72            73            74            75 
      1   0.554387D+01 -0.588120D+00  0.518669D+00 -0.741677D+00  0.110909D+01
      2   0.112268D+01 -0.203318D+01  0.308095D+01 -0.119606D+01  0.973914D+00
      3  -0.503786D+01 -0.197763D+01 -0.781205D+00 -0.993797D+00  0.550622D+00
                76            77            78            79            80 
      1  -0.169288D+00  0.132097D+01 -0.411393D+00  0.607000D+00  0.326841D+01
      2  -0.183670D+01 -0.984551D+00 -0.171557D+01 -0.352521D+01 -0.529770D+00
      3   0.270265D+01  0.644261D+00  0.131354D+01  0.177435D+01  0.205193D+01
                81            82            83            84            85 
      1  -0.145972D+01  0.106965D+01 -0.291762D+00 -0.179059D+01  0.168624D+00
      2  -0.149089D+01  0.255317D+01 -0.383882D+00  0.233135D+01  0.273540D-01
      3   0.471670D+00  0.381363D+01 -0.149229D+01 -0.520113D+00  0.264783D+01
                86            87            88            89            90 
      1  -0.160506D+01 -0.138976D+01 -0.144959D+01  0.128229D+01  0.290721D+01
      2  -0.916361D+00  0.109461D+01 -0.192018D+01  0.142484D+00 -0.212759D+01
      3  -0.271478D+01  0.986514D+00 -0.159755D+01  0.149133D+01  0.957152D+00
                91            92            93            94            95 
      1  -0.314336D+01 -0.132972D+01 -0.258027D+01 -0.199138D+01 -0.108599D+01
      2   0.774644D+01  0.444076D+01  0.814524D+01  0.427662D+01  0.444048D+01
      3  -0.232638D+01 -0.549574D+01 -0.253452D+01 -0.633734D+01 -0.891934D+01
                96            97            98            99           100 
      1  -0.300127D+01 -0.435837D+01 -0.214073D+01 -0.539086D+01  0.224889D+01
      2   0.671985D+01  0.100983D+02  0.974126D+01  0.171106D+02 -0.408609D+01
      3  -0.291839D+01 -0.365760D+01 -0.590214D+01 -0.651775D+01  0.115930D+02
               101           102           103           104           105 
      1  -0.165016D+01 -0.946840D+00 -0.158711D+01  0.239525D+01 -0.225035D+00
      2   0.205085D+01  0.601783D+01  0.330049D+01 -0.333036D+01 -0.425895D+01
      3  -0.798821D+01 -0.404849D+01 -0.818814D+01  0.105876D+02  0.471892D+01
               106           107           108           109           110 
      1  -0.201979D+01  0.161310D+01  0.838938D+00 -0.342838D-01 -0.723457D+00
      2   0.473456D+01 -0.138875D+01 -0.484304D+01 -0.186651D+01  0.169188D+01
      3  -0.458585D+01  0.514371D+01  0.282395D+01 -0.318723D+01 -0.692216D+00
               111           112           113           114           115 
      1  -0.412585D+00  0.683837D+00  0.633811D+00 -0.365650D+01 -0.220823D+01
      2   0.113477D+01 -0.993818D+00 -0.102971D+02  0.897838D+01  0.345355D+01
      3  -0.126425D+01 -0.546640D+01 -0.219018D+02  0.103793D+02  0.124687D+01
               116           117           118           119           120 
      1  -0.137571D+01  0.302499D+01 -0.425320D+01 -0.326903D+01 -0.369634D+01
      2   0.111074D+02 -0.103634D+02 -0.131545D+01 -0.103976D+01  0.693793D+00
      3   0.132014D+02 -0.101735D+02  0.575374D+01  0.197909D+01  0.377634D+01
               121           122           123           124           125 
      1  -0.149811D+01 -0.481317D+01 -0.645715D+01 -0.375543D+01 -0.915249D+01
      2  -0.682563D+00 -0.944786D+00  0.122801D-01 -0.215043D+01 -0.657709D+00
      3   0.553925D+01  0.599001D+01  0.230106D+01  0.911361D+01  0.484731D+01
               126           127           128           129           130 
      1  -0.129622D+02  0.154648D+01 -0.200353D+01  0.127206D+00  0.136518D+00
      2  -0.101196D+01  0.532314D+00  0.800382D+00  0.930888D+00  0.342083D+00
      3   0.434149D+01 -0.116511D+01  0.139155D+01 -0.140388D+01  0.736679D+01
               131           132           133           134           135 
      1   0.672047D+01 -0.680169D+01 -0.202384D+01 -0.733787D+01  0.611763D+01
      2  -0.762120D+00 -0.706740D-01 -0.177155D+01  0.347338D-01 -0.481579D-02
      3   0.475295D+01 -0.151715D+00 -0.414687D+01 -0.350811D+00  0.209788D+01
               136           137           138           139           140 
      1  -0.664544D+01 -0.436978D+01 -0.270297D+01 -0.681975D+01  0.773838D+01
      2  -0.171598D+02  0.308300D+01  0.532017D+01  0.367843D+01 -0.190293D+01
      3   0.197678D-01  0.142887D+01  0.253733D+01  0.842211D+01 -0.578806D+01
               141           142           143           144           145 
      1  -0.140976D+02 -0.238413D+01 -0.652421D+01 -0.330445D+01 -0.136893D+01
      2  -0.743230D+00  0.597834D+00 -0.108297D+01  0.558564D+01 -0.966259D+01
      3   0.730566D+01  0.237180D+01  0.503842D+01  0.342214D+01  0.674445D+01
               146           147           148           149           150 
      1  -0.149525D-01 -0.188547D+01  0.447282D+00 -0.216380D+01 -0.234893D+01
      2  -0.141916D+01 -0.922528D+01 -0.210282D+01 -0.975984D+01 -0.589868D+01
      3   0.115480D+02  0.265288D+01  0.241299D+02 -0.156867D+02  0.907823D+01
               151           152           153           154           155 
      1  -0.265906D+01  0.163974D+01  0.321292D+01  0.397804D+01 -0.253334D+01
      2  -0.186282D+02 -0.500696D+01  0.172349D+02  0.220833D+02 -0.288552D+01
      3   0.321067D+01  0.885279D+01  0.745362D+01  0.299872D+01 -0.120343D+01
               156           157           158           159           160 
      1  -0.208090D+00 -0.228589D+01  0.548479D+00  0.258739D+00 -0.768636D+00
      2  -0.167294D+01 -0.369248D+01  0.170376D+01  0.504765D-01 -0.498254D+01
      3  -0.451176D+00  0.206227D+01  0.857966D-01 -0.541042D+00 -0.349058D+00
               161           162           163           164           165 
      1   0.155332D+01  0.817206D+00  0.384641D+01  0.447858D+01  0.270314D+01
      2   0.391582D+00  0.269431D+01 -0.147100D+01 -0.127205D+01  0.185341D+01
      3   0.242016D+00  0.182982D+00 -0.204039D+01 -0.368240D+01 -0.208612D+01
               166           167           168           169           170 
      1   0.389390D+01  0.552608D+01  0.493093D+01  0.295483D+01  0.585598D+01
      2  -0.291535D+01  0.692098D+00  0.281517D+01 -0.264311D+01  0.854939D+00
      3  -0.138424D+01 -0.353854D+01 -0.388909D+01 -0.129899D+01 -0.322854D+01
               171           172           173           174           175 
      1   0.575032D+01 -0.106965D+01  0.258167D+01  0.419829D+00  0.332770D+01
      2   0.327983D+01  0.849379D+00  0.829726D+00  0.698131D+00  0.282437D+01
      3  -0.354224D+01  0.101617D+01 -0.208316D+01  0.242602D+00  0.116571D+01
               176           177           178           179           180 
      1  -0.131378D+02  0.274885D+01 -0.500365D+00  0.445537D+01 -0.197873D+01
      2   0.255435D+01 -0.398768D+01 -0.149299D+01 -0.150426D+01  0.172175D+01
      3   0.946936D+01 -0.495115D+01 -0.563574D+00 -0.268390D+01  0.214597D+01
               181           182           183           184           185 
      1  -0.103183D+01 -0.536833D+00  0.862004D+00 -0.897675D-01 -0.481775D+00
      2  -0.531451D+01  0.120668D+00  0.618962D+01  0.643946D-01 -0.166235D+01
      3  -0.190235D+01 -0.235192D+01  0.969455D+00 -0.221401D+01 -0.192620D+00
               186           187           188           189           190 
      1  -0.228054D+00  0.133095D+01  0.300970D+01 -0.363655D+01  0.504596D+00
      2   0.295495D+01  0.597902D+01  0.211908D+01 -0.241161D+02  0.239100D+01
      3   0.228372D+01  0.894068D+00  0.382981D+01 -0.324485D+01  0.504909D+01
               191           192           193           194           195 
      1  -0.395985D+00  0.965510D+00 -0.336503D+00  0.140420D+01 -0.353677D+01
      2  -0.135555D+01  0.316051D+01 -0.146231D+01  0.504224D+01 -0.512029D+01
      3  -0.703883D+01  0.766503D+00 -0.954196D+01  0.250135D+02 -0.445760D+01
               196           197           198           199           200 
      1   0.771269D+00  0.583532D-01  0.664966D+00  0.115973D+01  0.756244D+00
      2   0.301918D+01 -0.320137D+01  0.136523D+01  0.761039D+01  0.293534D+01
      3   0.776486D+00 -0.473790D+01  0.263319D+01 -0.979402D+01 -0.821670D+01
               201           202           203           204           205 
      1   0.129572D+00  0.702697D+00  0.103630D+01 -0.755708D+00  0.992197D+00
      2   0.788702D+01  0.408277D+01  0.522139D+01  0.675242D+01  0.707703D+01
      3  -0.381607D+01 -0.950909D+01 -0.880225D+01 -0.564343D+01 -0.458451D+01
               206           207           208           209           210 
      1   0.159507D+01  0.110583D+00  0.220883D+01 -0.920457D+00  0.769667D-01
      2   0.429598D+01  0.750829D+01 -0.614373D+00  0.509020D+00  0.158671D+01
      3  -0.668085D+01 -0.524859D+01 -0.188709D+01  0.708359D+00 -0.147350D+01
               211           212           213           214           215 
      1   0.469039D+00  0.101619D+02 -0.642599D+01 -0.118437D+01 -0.727534D+01
      2  -0.989315D+00 -0.261477D+01  0.161426D+01  0.636158D+00  0.285550D+01
      3   0.554656D+01 -0.103978D+02  0.144341D+01 -0.430376D+01  0.502742D+01
               216           217           218           219           220 
      1   0.501047D+01 -0.233021D+01 -0.158079D+01 -0.249805D+01 -0.346498D+00
      2  -0.204277D+01 -0.461001D+00  0.695069D+00  0.136193D+01 -0.518230D+00
      3  -0.203016D+01  0.273813D+01 -0.242145D+01  0.430643D+00  0.185740D+01
               221           222           223           224           225 
      1   0.494965D+00 -0.292108D+01 -0.152866D+01 -0.271476D+01 -0.766071D+01
      2   0.144280D+01  0.162410D+01 -0.335978D+01  0.305502D+01  0.500134D+01
      3  -0.382155D+01 -0.104281D+01  0.358364D+01 -0.183761D+01 -0.188951D+01
               226           227           228           229           230 
      1  -0.135616D+01  0.133563D+01  0.324167D+01  0.719570D+00 -0.123237D+01
      2  -0.772363D+00  0.230773D+01  0.438819D+01  0.153090D+00 -0.276824D+01
      3  -0.318905D+01 -0.879310D+00  0.264045D-01  0.225538D+01  0.521589D+01
               231           232           233           234 
      1  -0.245786D+01  0.333930D+01  0.213519D+01 -0.212613D+01
      2  -0.311166D+01  0.194849D+01  0.145714D+01 -0.174795D+01
      3   0.127684D+01  0.100095D+01  0.201960D+01 -0.179015D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.115843D+02 -0.567720D+01 -0.100798D+02 -0.419245D+01 -0.299365D+01
      2   0.768095D+01  0.199005D+01  0.927061D+00 -0.237027D-01  0.744841D+01
      3   0.390335D+01  0.368715D+01  0.915272D+01  0.421615D+01 -0.445476D+01
      4   0.173012D+01 -0.223142D+00 -0.200958D+01 -0.268318D+01 -0.330465D+01
      5  -0.660425D-01 -0.443264D+01 -0.839804D+01  0.662558D+00  0.119163D+00
      6  -0.178008D+01  0.133301D+01  0.574198D+01  0.291824D+01  0.361415D+01
                 6             7             8             9            10 
      1   0.602729D+01 -0.178597D+02 -0.221493D+00 -0.275227D+01 -0.593148D+01
      2  -0.148930D+01  0.546496D+01  0.274069D+01  0.581369D+01  0.534380D+01
      3  -0.453799D+01  0.123948D+02 -0.251920D+01 -0.306141D+01  0.587681D+00
      4  -0.410103D-01 -0.405362D+01  0.646161D+01  0.784939D+01 -0.770195D+00
      5   0.571597D+01 -0.741684D+01  0.625645D+01  0.817920D+01  0.404067D+01
      6  -0.368774D+01  0.828484D+01 -0.348042D+01 -0.640894D+01  0.479281D+01
                11            12            13            14            15 
      1   0.755822D+01 -0.471754D+01  0.630786D+01 -0.967146D+01  0.542529D+00
      2  -0.920433D+00  0.341423D+01 -0.130043D+01  0.118333D+02  0.124562D+01
      3  -0.663779D+01  0.130331D+01 -0.500743D+01 -0.216181D+01 -0.178815D+01
      4  -0.545320D+01  0.955062D+01 -0.866903D+01  0.737287D+01  0.608856D+01
      5   0.787967D+01 -0.831716D+01  0.265959D+01  0.286548D+01 -0.361188D+01
      6   0.265874D+01 -0.598810D+01  0.618926D+01  0.120032D+01 -0.613094D+00
                16            17            18            19            20 
      1  -0.655581D+01  0.109763D+02 -0.689509D+01  0.305568D+00  0.858270D+01
      2   0.468857D+01 -0.655649D+01  0.667707D+01  0.225371D+01 -0.213106D+01
      3   0.186724D+01 -0.441976D+01  0.218024D+00 -0.255928D+01 -0.645164D+01
      4   0.149830D+02  0.575788D+01 -0.237652D+01  0.327214D+01  0.162751D+01
      5  -0.833134D+01 -0.323992D+01  0.442223D+01 -0.278479D+01 -0.281064D+01
      6  -0.653535D+01 -0.103669D+01  0.384828D+01 -0.687025D+00 -0.532111D+01
                21            22            23            24            25 
      1   0.655891D+01  0.127061D+02  0.186150D+02 -0.396455D+01  0.705500D+01
      2  -0.132119D+01 -0.677842D+01 -0.232182D+02  0.103298D+02 -0.245694D+00
      3  -0.523772D+01 -0.592771D+01  0.460314D+01 -0.636524D+01 -0.680930D+01
      4  -0.511191D+01 -0.654826D+00 -0.168986D+02 -0.527281D+01 -0.618612D+01
      5  -0.717612D+01 -0.420057D+01 -0.462750D+01 -0.886495D+01 -0.904091D+01
      6  -0.730908D+01 -0.407830D+01  0.151378D+01 -0.950099D+01 -0.100798D+02
                26            27            28            29            30 
      1  -0.406791D+01  0.862498D+01  0.173259D+02  0.123529D+02  0.190390D+01
      2   0.192101D+02 -0.157960D+01 -0.131188D+02 -0.710196D+01 -0.253113D+01
      3  -0.151421D+02 -0.704538D+01 -0.420707D+01 -0.525098D+01  0.627236D+00
      4  -0.692088D+01 -0.156071D+02  0.357504D+01  0.194482D+02  0.571154D+01
      5  -0.142081D+02 -0.137905D+02  0.457752D+01  0.428630D+01  0.662961D+01
      6  -0.194371D+02 -0.145873D+02  0.564068D+00 -0.421810D+00 -0.234270D+01
                31            32            33            34            35 
      1   0.128020D+02  0.294294D+02  0.877196D+01  0.682408D+01  0.823611D+01
      2  -0.913954D+01 -0.219693D+02 -0.288712D+01 -0.684810D+01 -0.601200D+01
      3  -0.366248D+01 -0.746010D+01 -0.588484D+01  0.240172D-01 -0.222411D+01
      4   0.210440D+02  0.498317D+02  0.881053D+00  0.577817D+01  0.341978D+01
      5   0.608058D+01 -0.915849D+00  0.112712D+02  0.152818D+02  0.100674D+02
      6  -0.128580D+01  0.306981D+01  0.108042D+01 -0.180966D+00  0.842818D+01
                36            37            38            39            40 
      1   0.687255D+01 -0.186247D+02  0.293876D+01 -0.273680D+01  0.115990D+02
      2  -0.128374D+02  0.141965D+02 -0.295241D+01  0.363753D-01 -0.828596D+01
      3   0.596484D+01  0.442822D+01  0.136495D-01  0.270043D+01 -0.331306D+01
      4   0.724957D+01  0.563868D+01 -0.216628D+02 -0.185366D+02 -0.332150D+02
      5   0.938226D+01 -0.531544D+01 -0.196996D+02 -0.156217D+02 -0.184940D+02
      6  -0.202578D+01 -0.709290D+01 -0.416250D+01 -0.359395D+01  0.158439D+01
                41            42            43            44            45 
      1  -0.227577D+02 -0.234418D+02 -0.988120D+01 -0.275604D+02 -0.178411D+02
      2   0.108975D+02  0.156386D+02  0.446359D+01  0.188520D+02  0.788239D+01
      3   0.118602D+02  0.780317D+01  0.541761D+01  0.870845D+01  0.995866D+01
      4  -0.252127D+02  0.149375D+02 -0.204157D+02  0.142708D+02 -0.254617D+02
      5   0.188461D+02 -0.176214D+02 -0.320558D+02 -0.295944D+02 -0.103985D+02
      6   0.105137D+02 -0.125258D+02 -0.988960D+01 -0.181433D+02 -0.554088D+00
                46            47            48            49            50 
      1  -0.188139D+02 -0.123628D+02 -0.183392D+01 -0.235238D+02 -0.398464D+02
      2   0.103443D+02  0.137073D+02  0.256209D+01  0.218628D+02  0.364947D+02
      3   0.846953D+01 -0.134447D+01 -0.728166D+00  0.166109D+01  0.335166D+01
      4   0.659523D+01 -0.175252D+02 -0.121834D+02 -0.233373D+02 -0.338057D+02
      5   0.895931D+01 -0.972285D+01 -0.367042D+01 -0.915922D+01  0.737334D+01
      6  -0.642342D+01  0.799015D+01  0.317976D+01  0.815092D+01 -0.102121D+02
                51            52            53            54            55 
      1  -0.444901D+01 -0.326087D+01 -0.807668D+01 -0.151834D+02  0.394044D+01
      2   0.438390D+00  0.343270D+01 -0.346369D+01  0.252950D+01 -0.264728D+01
      3   0.401062D+01 -0.171826D+00  0.115404D+02  0.126539D+02 -0.129316D+01
      4   0.952912D+01 -0.174381D+02  0.131513D+02 -0.915608D+01  0.113164D+01
      5  -0.950438D+01 -0.165615D+01 -0.937145D+01 -0.134725D+01 -0.294860D+01
      6   0.421315D+01  0.466664D+01  0.150445D+02  0.485817D+00 -0.198354D+01
                56            57            58            59            60 
      1   0.942285D+01  0.873047D+01  0.938831D+01  0.397464D+02 -0.446013D+01
      2  -0.107628D+02 -0.106162D+02 -0.104077D+02 -0.432899D+02  0.955705D+01
      3   0.133992D+01  0.188570D+01  0.101940D+01  0.354344D+01 -0.509692D+01
      4   0.391506D+01  0.360085D+00  0.637857D+01  0.352955D+01 -0.103965D+02
      5  -0.164387D+00 -0.264386D+01  0.687700D-01 -0.625184D+01  0.692409D+00
      6  -0.111632D+02 -0.318932D+01 -0.647355D+01  0.122526D+02 -0.177003D+02
                61            62            63            64            65 
      1   0.904053D+01 -0.703175D+01  0.231359D+02 -0.133412D+01  0.354183D+01
      2  -0.905224D+01  0.146472D+02 -0.252439D+02 -0.440630D+01 -0.317243D+01
      3   0.117110D-01 -0.761546D+01  0.210799D+01  0.574042D+01 -0.369404D+00
      4  -0.135537D+01 -0.143508D+02 -0.220738D+01  0.264389D+01  0.442535D+01
      5  -0.114449D+01 -0.226133D+01 -0.388557D+01  0.108317D+02 -0.721595D+00
      6  -0.871244D+01 -0.355092D+02 -0.716484D+01 -0.205114D+01  0.335245D+01
                66            67            68            69            70 
      1   0.113097D+02  0.486323D+01  0.131141D+02  0.111953D+00  0.202178D+02
      2  -0.883802D+01 -0.277587D+01 -0.904625D+01 -0.138121D+01 -0.135906D+02
      3  -0.247172D+01 -0.208736D+01 -0.406782D+01  0.126925D+01 -0.662721D+01
      4  -0.330831D+01  0.149542D+02 -0.133325D+02  0.717018D+01 -0.517858D+01
      5   0.129466D+02 -0.413733D+00  0.816219D+01  0.181701D+01  0.167698D+02
      6  -0.125850D+01 -0.251174D+00 -0.449516D+01  0.220315D+01 -0.267286D+01
                71            72            73            74            75 
      1  -0.240959D+01  0.147206D+02  0.187279D+01  0.454660D+00  0.311354D+01
      2  -0.194428D+00 -0.102796D+02 -0.463630D+01  0.116585D+01  0.380308D+01
      3   0.260402D+01 -0.444103D+01  0.276351D+01 -0.162051D+01 -0.691663D+01
      4   0.501681D+01 -0.121766D+01 -0.652889D+01  0.629839D+01  0.498390D+01
      5   0.890057D+00 -0.247992D+01 -0.826306D+01  0.518024D+01  0.123383D+02
      6   0.356497D+01  0.100127D+01  0.531690D+01 -0.412390D+01 -0.576079D+01
                76            77            78            79            80 
      1   0.490576D+00 -0.875324D+01 -0.864601D+01  0.307691D+01 -0.787758D+01
      2   0.807993D+00  0.335114D+01  0.607897D+00  0.371309D+01 -0.144268D+01
      3  -0.129857D+01  0.540209D+01  0.803812D+01 -0.679000D+01  0.932026D+01
      4   0.444973D+01 -0.492689D+01 -0.557773D+01  0.473979D+01 -0.618522D+01
      5   0.417052D+01 -0.582981D+01 -0.673768D+01  0.954808D+01 -0.762262D+01
      6  -0.325875D+01  0.970268D+01  0.124594D+02 -0.515166D+01  0.123339D+02
                81            82            83            84            85 
      1  -0.181243D+02  0.885569D+01  0.486564D+00 -0.278766D+00 -0.888877D+00
      2  -0.980787D+01 -0.619469D+01  0.432984D+00  0.235695D+01  0.118237D+01
      3   0.279321D+02 -0.266100D+01 -0.919549D+00 -0.207818D+01 -0.293496D+00
      4  -0.886350D+01  0.138142D+02  0.123759D+02 -0.937434D+01  0.985014D+01
      5  -0.167477D+02 -0.125668D+02 -0.823177D+01  0.124920D+02 -0.628587D+01
      6   0.178473D+02 -0.861439D+01 -0.743256D+01  0.772206D+01 -0.641539D+01
                86            87            88            89            90 
      1  -0.636109D+01  0.341777D+01 -0.579345D+00  0.270426D+01 -0.556091D+01
      2   0.778356D+01 -0.215204D+01  0.309786D+01 -0.105788D+00 -0.410238D+01
      3  -0.142247D+01 -0.126573D+01 -0.251852D+01 -0.259847D+01  0.966329D+01
      4   0.136182D+02 -0.889409D+01 -0.912194D+01 -0.975951D+01  0.107849D+02
      5  -0.834946D+01  0.645662D+01  0.113369D+02  0.901556D+01 -0.135975D+02
      6  -0.121145D+02  0.107573D+02  0.863705D+01  0.120943D+02 -0.139013D+02
                91            92            93            94            95 
      1   0.344325D+02  0.120462D+02  0.157575D+02  0.128334D+02  0.114658D+02
      2  -0.185612D+02 -0.461085D+01 -0.811771D+01 -0.420133D+01 -0.234810D+01
      3  -0.158713D+02 -0.743535D+01 -0.763979D+01 -0.863211D+01 -0.911771D+01
      4   0.161892D+02  0.132137D+02  0.105261D+02  0.212276D+02  0.212562D+02
      5   0.200462D+02  0.103876D+02  0.174502D+02  0.101211D+02  0.919885D+01
      6   0.609928D+01  0.325195D+01  0.428301D+01  0.406262D+01  0.412554D+01
                96            97            98            99           100 
      1   0.647612D+01  0.323728D+02  0.139991D+02  0.152173D+02  0.505582D+02
      2  -0.183474D+01 -0.183263D+02 -0.645694D+01 -0.118959D+02 -0.293725D+02
      3  -0.464138D+01 -0.140466D+02 -0.754220D+01 -0.332137D+01 -0.211857D+02
      4   0.948077D+01  0.207609D+02  0.167333D+02  0.179484D+02 -0.155751D+02
      5   0.126900D+02  0.291970D+02  0.201939D+02  0.348234D+02 -0.163307D+02
      6   0.756570D+01  0.872420D+01  0.104031D+02  0.106888D+02  0.140123D+01
               101           102           103           104           105 
      1  -0.162935D+02 -0.122396D+02 -0.332346D+02  0.133697D+02  0.881514D+01
      2   0.100631D+02  0.878373D+01  0.191813D+02 -0.704128D+01 -0.703332D+01
      3   0.623041D+01  0.345585D+01  0.140533D+02 -0.632846D+01 -0.178182D+01
      4   0.117143D+02  0.527370D+01  0.182088D+02 -0.172660D+02 -0.753234D+01
      5   0.634384D+01  0.134124D+02  0.121940D+02 -0.810946D+01 -0.912392D+01
      6  -0.557265D+00  0.224104D+00 -0.180626D+01  0.186617D+01  0.300143D+01
               106           107           108           109           110 
      1  -0.165172D+02  0.641192D+01  0.110086D+02  0.301950D+01  0.724711D+01
      2   0.119478D+02 -0.551782D+01 -0.945724D+01 -0.143927D+01 -0.411072D+01
      3   0.456943D+01 -0.894102D+00 -0.155131D+01 -0.158022D+01 -0.313638D+01
      4   0.641447D+01 -0.688476D+01 -0.361668D+01  0.548654D+01  0.539262D+01
      5   0.180630D+02 -0.406939D+01 -0.120250D+02 -0.369271D+01 -0.717312D+00
      6  -0.427998D+00  0.366132D+01  0.104634D+01 -0.258910D+01  0.964561D+00
               111           112           113           114           115 
      1  -0.475219D+01  0.121106D+02 -0.233200D+01  0.597891D+01 -0.781279D+01
      2   0.211153D+01 -0.392456D+01  0.121447D+02 -0.555945D+01  0.435417D+01
      3   0.264066D+01 -0.818601D+01 -0.981272D+01 -0.419460D+00  0.345863D+01
      4  -0.109114D+01  0.205729D+02  0.396988D+02 -0.179057D+02 -0.824262D+01
      5   0.474049D+01 -0.664387D+01 -0.200857D+02  0.170198D+02  0.153101D+02
      6   0.561777D+00 -0.571071D+01 -0.176988D+02  0.131623D+02  0.673708D+01
               116           117           118           119           120 
      1   0.690067D+01 -0.180795D+01 -0.275279D+01 -0.607306D+01 -0.456904D+01
      2  -0.596087D+01 -0.170988D+01  0.283809D+01  0.775579D+01  0.447321D+01
      3  -0.939803D+00  0.351782D+01 -0.852937D-01 -0.168273D+01  0.958313D-01
      4  -0.216734D+02  0.190143D+02  0.594148D+01  0.804452D+01  0.526127D+01
      5   0.221508D+02 -0.196934D+02  0.251267D+01  0.335966D+01  0.481366D+01
      6   0.164421D+02 -0.134168D+02  0.730484D+01  0.711773D+01  0.583743D+01
               121           122           123           124           125 
      1  -0.511578D+01 -0.237317D+02 -0.904055D+01 -0.706863D+01 -0.184678D+02
      2   0.680160D+01  0.292095D+02  0.996527D+01  0.578356D+01  0.180813D+02
      3  -0.168583D+01 -0.547776D+01 -0.924722D+00  0.128507D+01  0.386541D+00
      4   0.364969D+01  0.384361D+01  0.350116D+01  0.575046D+01  0.583457D+01
      5   0.170109D+01  0.251674D+01  0.118634D+01  0.500817D+01  0.355206D+01
      6   0.435338D+01  0.146694D+02  0.144425D+02  0.761243D+01  0.265297D+02
               126           127           128           129           130 
      1  -0.192855D+02 -0.176416D+01  0.271977D+01 -0.210792D+01 -0.278179D+01
      2   0.135776D+02  0.486412D+01 -0.555780D+01  0.255237D+01  0.896597D+00
      3   0.570790D+01 -0.309996D+01  0.283803D+01 -0.444451D+00  0.188519D+01
      4   0.430157D+01 -0.397001D+01  0.106493D+02 -0.410787D+01  0.566965D+01
      5   0.315888D+01  0.208497D+01 -0.258003D+01  0.375819D+01 -0.179822D+01
      6   0.239330D+02 -0.478159D+01  0.479187D+01 -0.100031D+01  0.101305D+01
               131           132           133           134           135 
      1  -0.424115D+02  0.137048D+02  0.859736D-01  0.222638D+02 -0.170381D+02
      2   0.595624D+02 -0.179827D+02  0.104406D+01 -0.268736D+02  0.157037D+02
      3  -0.171509D+02  0.427787D+01 -0.113003D+01  0.460978D+01  0.133448D+01
      4  -0.969552D+01  0.420515D+01 -0.377762D+01  0.549881D+01 -0.326702D+01
      5   0.320326D+01 -0.140366D+01  0.306796D+01 -0.185119D+01  0.228800D+01
      6  -0.273157D+02  0.165594D+02  0.159659D+01  0.274070D+02 -0.168184D+02
               136           137           138           139           140 
      1   0.146601D+02 -0.495875D+01  0.834408D+00 -0.703303D+01  0.654627D+01
      2  -0.762176D-01  0.659387D+01  0.790349D+01  0.103331D+02 -0.221403D+01
      3  -0.145839D+02 -0.163512D+01 -0.873789D+01 -0.330004D+01 -0.433225D+01
      4  -0.816919D+01 -0.361383D+01 -0.178044D+01 -0.898488D+01  0.141326D+02
      5   0.186184D+01 -0.642974D+01 -0.148849D+02 -0.795363D+01 -0.187968D+02
      6  -0.510244D+01 -0.871962D+01 -0.241299D+01 -0.129369D+02  0.187022D+02
               141           142           143           144           145 
      1  -0.402187D+01 -0.948307D+00 -0.173060D+01 -0.101640D+02  0.595833D+01
      2   0.135687D+02  0.750987D+01  0.100698D+02  0.342565D+01 -0.201564D+01
      3  -0.954685D+01 -0.656157D+01 -0.833920D+01  0.673839D+01 -0.394268D+01
      4  -0.149940D+02 -0.577707D+00 -0.980728D+01 -0.325011D+01 -0.154290D+02
      5  -0.801577D+01 -0.186516D+02 -0.563684D+01 -0.987927D+01 -0.187699D+02
      6  -0.180899D+02 -0.191963D+01 -0.137265D+02 -0.773128D+01  0.927106D+00
               146           147           148           149           150 
      1  -0.165004D+02 -0.163516D+02 -0.210974D+02 -0.203878D+02 -0.745053D+01
      2   0.133003D+02  0.638779D+01  0.191772D+02  0.900269D-01  0.633747D+01
      3   0.320004D+01  0.996386D+01  0.192016D+01  0.202978D+02  0.111306D+01
      4  -0.213456D+02 -0.281494D+01 -0.359996D+02  0.330466D+02 -0.167132D+02
      5  -0.306145D+01 -0.180880D+02 -0.494678D+01 -0.152024D+02 -0.113739D+02
      6  -0.173888D+01  0.784452D+00 -0.226928D+01  0.234393D+01 -0.565550D+00
               151           152           153           154           155 
      1  -0.222944D+02 -0.666787D+01 -0.190865D+02 -0.818310D+01  0.196531D+00
      2   0.659067D+01  0.588588D+01  0.163952D+02  0.153019D+01 -0.564502D+00
      3   0.157037D+02  0.781990D+00  0.269129D+01  0.665291D+01  0.367971D+00
      4  -0.370403D+01 -0.174890D+02 -0.938955D+01  0.539171D+01  0.336326D+00
      5  -0.246821D+02 -0.100282D+02  0.304668D+02 -0.150870D+02  0.201337D+01
      6   0.808353D+00  0.121440D+01 -0.358125D+01  0.191994D+01 -0.292776D+01
               156           157           158           159           160 
      1   0.826449D+01  0.149544D+01 -0.250589D+01 -0.112966D+01  0.499388D+01
      2   0.278277D+01 -0.161833D+01  0.120825D+01 -0.234965D+01  0.228275D+01
      3  -0.110473D+02  0.122889D+00  0.129764D+01  0.347931D+01 -0.727663D+01
      4  -0.780493D+00  0.145765D+01 -0.714106D+00  0.146987D+01 -0.809090D+00
      5   0.343272D+01  0.263163D+01  0.599767D+00  0.141834D+01  0.619168D+01
      6   0.186337D+01 -0.143677D+01 -0.846284D+00  0.376958D+01  0.447224D+00
               161           162           163           164           165 
      1  -0.815238D+00 -0.397792D+01  0.720588D+01  0.305525D+01  0.148438D+01
      2  -0.111721D+01 -0.230762D+01 -0.115432D+02 -0.430083D+01 -0.119065D+02
      3   0.193245D+01  0.628555D+01  0.433731D+01  0.124559D+01  0.104222D+02
      4  -0.853040D-01  0.143402D+01  0.586400D+01  0.598817D+01  0.394940D+01
      5   0.410656D+00 -0.393820D+01  0.181940D+02  0.738417D+01  0.205206D+02
      6   0.279134D+01  0.126376D+01  0.581833D+01  0.638811D+01  0.449218D+01
               166           167           168           169           170 
      1   0.411146D+01 -0.228518D+01 -0.409997D+01  0.486377D+00 -0.243092D+01
      2  -0.645801D+01 -0.247378D+01 -0.940290D+01 -0.972089D+01 -0.579562D+01
      3   0.234655D+01  0.475896D+01  0.135029D+02  0.923451D+01  0.822654D+01
      4   0.714373D+01  0.679432D+01  0.860029D+01  0.294710D+01  0.534114D+01
      5   0.113501D+02  0.113394D+02  0.148704D+02  0.166529D+02  0.814081D+01
      6   0.790008D+01  0.876062D+01  0.130611D+02  0.436429D+01  0.896041D+01
               171           172           173           174           175 
      1  -0.756594D+01 -0.299164D+00 -0.149233D+01  0.111755D+00 -0.790628D+00
      2  -0.176161D+02  0.557290D-01 -0.593356D+00 -0.245491D+01 -0.197175D+01
      3   0.251821D+02  0.243435D+00  0.208569D+01  0.234315D+01  0.276238D+01
      4   0.619359D+01 -0.549494D+01  0.860605D+01 -0.392680D+01  0.106406D+02
      5   0.244970D+02  0.534815D+01 -0.540699D+01  0.800623D+01 -0.679259D+01
      6   0.102197D+02 -0.500304D+01  0.566307D+01 -0.291788D+01  0.826828D+01
               176           177           178           179           180 
      1  -0.155344D+02  0.116895D+02 -0.807219D+00  0.701945D+01 -0.701128D+01
      2   0.173675D+02 -0.403372D+01 -0.171140D+01 -0.112684D+01 -0.929518D+00
      3  -0.183313D+01 -0.765576D+01  0.251862D+01 -0.589261D+01  0.794080D+01
      4  -0.212911D+02  0.109328D+02 -0.211952D+01  0.570337D+01 -0.541258D+01
      5   0.125709D+02 -0.937166D+01  0.621981D+01 -0.530413D+01  0.787856D+01
      6  -0.305078D+02  0.212406D+02 -0.297226D+01  0.138605D+02 -0.113903D+02
               181           182           183           184           185 
      1   0.103360D+02  0.295051D+01 -0.103134D+02  0.604152D+01  0.314394D+01
      2  -0.827718D+01 -0.202538D+01  0.749065D+01 -0.432953D+01 -0.116751D+01
      3  -0.205884D+01 -0.925129D+00  0.282272D+01 -0.171199D+01 -0.197642D+01
      4   0.217943D+01  0.425338D+01  0.307299D+00  0.760353D+01 -0.105704D+01
      5  -0.126961D+02 -0.532128D+00  0.157126D+02 -0.192178D+01 -0.428680D+01
      6   0.765377D+00 -0.392082D+00 -0.103767D+01 -0.121418D+01 -0.613423D+00
               186           187           188           189           190 
      1  -0.436194D+00 -0.182119D+02  0.786656D+00  0.895902D+01  0.155668D+02
      2   0.134798D+01  0.139625D+02  0.714125D+00 -0.184360D+02 -0.343370D+01
      3  -0.911785D+00  0.424936D+01 -0.150078D+01  0.947698D+01 -0.121331D+02
      4  -0.450972D+01  0.173718D+01 -0.618537D+01  0.268385D+01 -0.160437D+02
      5   0.558978D+01  0.257083D+02  0.331057D+01 -0.473675D+02  0.438591D+01
      6   0.386435D+01 -0.197341D+01  0.367155D+01  0.428144D+01 -0.971715D+00
               191           192           193           194           195 
      1  -0.107930D+02  0.403553D+01 -0.193821D+02  0.806785D+01  0.544171D+00
      2   0.143288D+01 -0.134389D+01  0.362973D+00  0.161720D+02 -0.252703D+01
      3   0.936017D+01 -0.269164D+01  0.190191D+02 -0.242399D+02  0.198286D+01
      4   0.192032D+02 -0.262362D+01  0.353173D+02 -0.536152D+02  0.888073D+01
      5  -0.199372D+01  0.525227D+01 -0.219450D+01  0.753219D+01 -0.858265D+01
      6   0.713392D+00 -0.805437D+00  0.122163D+01 -0.229446D+01  0.583222D+01
               196           197           198           199           200 
      1   0.845861D+01 -0.840521D+00  0.384606D+01  0.493366D+02  0.160571D+02
      2  -0.274449D+01 -0.179283D+01 -0.118230D+01 -0.256554D+02 -0.861410D+01
      3  -0.571412D+01  0.263335D+01 -0.266375D+01 -0.236812D+02 -0.744303D+01
      4  -0.556298D+01  0.101016D+02 -0.722327D+01  0.164527D+02  0.141472D+02
      5   0.968894D+01 -0.711149D+01  0.260540D+01  0.177712D+02  0.617597D+01
      6  -0.307728D+01  0.556535D+01 -0.249651D+01  0.846477D+00  0.702310D+00
               201           202           203           204           205 
      1   0.159184D+02  0.304375D+02  0.147647D+02  0.752451D+01  0.270943D+02
      2  -0.888764D+01 -0.156650D+02 -0.430870D+01 -0.474585D+01 -0.151492D+02
      3  -0.703074D+01 -0.147724D+02 -0.104561D+02 -0.277866D+01 -0.119451D+02
      4   0.603213D+01  0.223609D+02  0.155912D+02  0.107159D+02  0.763174D+01
      5   0.141443D+02  0.973684D+01  0.977310D+01  0.119168D+02  0.205812D+02
      6   0.705591D-01  0.185232D+01  0.178642D+01  0.237027D+01  0.106796D+01
               206           207           208           209           210 
      1   0.619440D+01  0.139008D+02 -0.176841D+01  0.194429D+01 -0.190462D+01
      2  -0.417412D+01 -0.110317D+02  0.389455D+01 -0.206004D+01  0.803154D+00
      3  -0.202028D+01 -0.286905D+01 -0.212614D+01  0.115757D+00  0.110146D+01
      4   0.113697D+02  0.854035D+01  0.981321D+00  0.716351D+01 -0.758605D+00
      5   0.876386D+01  0.154278D+02 -0.135145D+01  0.238832D+00  0.271122D+01
      6   0.210800D+01  0.190395D+01 -0.206437D+01  0.767817D+00  0.716280D+00
               211           212           213           214           215 
      1  -0.624877D+00 -0.239748D+02  0.412911D+01 -0.213776D+01  0.105627D+02
      2   0.234660D+01  0.397846D+02 -0.825036D+01 -0.822188D+00 -0.183969D+02
      3  -0.172172D+01 -0.158098D+02  0.412125D+01  0.295995D+01  0.783425D+01
      4   0.646965D+01  0.136497D+02 -0.185691D+01 -0.257273D+01 -0.580310D+01
      5   0.311454D-01 -0.154323D+01  0.253829D+01  0.295918D+01  0.393857D+01
      6  -0.123526D+00 -0.707258D+01  0.737837D+01  0.218923D+01  0.121075D+02
               216           217           218           219           220 
      1  -0.592198D+01  0.240753D+01 -0.268164D+01 -0.141015D+01 -0.299276D+01
      2   0.616533D+01 -0.423542D+01  0.293866D+00 -0.260495D+01  0.212980D+01
      3  -0.243355D+00  0.182789D+01  0.238777D+01  0.401510D+01  0.862963D+00
      4   0.474628D+01  0.731753D+01  0.938835D+01  0.870285D+01  0.607276D+01
      5  -0.871607D+00  0.105111D+02  0.762230D+01  0.117720D+02  0.393224D+01
      6  -0.463432D+01  0.725492D+01  0.792099D+01  0.762134D+01  0.559237D+01
               221           222           223           224           225 
      1  -0.106425D+02 -0.667584D+01 -0.189880D+01 -0.104345D+02 -0.171101D+02
      2   0.858522D+01  0.274031D+01 -0.248852D+01 -0.389113D+00 -0.582380D+01
      3   0.205732D+01  0.393553D+01  0.438733D+01  0.108236D+02  0.229339D+02
      4   0.105330D+02  0.762139D+01  0.888000D+01  0.103102D+02  0.134583D+02
      5   0.776909D+01  0.676422D+01  0.118109D+02  0.123001D+02  0.205180D+02
      6   0.120893D+02  0.137223D+02  0.897920D+01  0.198276D+02  0.246133D+02
               226           227           228           229           230 
      1   0.179031D+02 -0.937802D+01 -0.374467D+01 -0.620129D+01 -0.348587D+01
      2  -0.370326D+01  0.703561D-01  0.174219D+01 -0.285748D+01  0.139680D+02
      3  -0.141998D+02  0.930766D+01  0.200248D+01  0.905877D+01 -0.104821D+02
      4  -0.282154D+02  0.227506D+02  0.100980D+02  0.199441D+02 -0.277699D+02
      5  -0.105154D+02  0.798164D+01  0.915506D+01  0.546453D+01 -0.787060D+01
      6   0.613347D+01 -0.665541D+01 -0.548156D+01 -0.510872D+01  0.930909D+01
               231           232           233           234 
      1  -0.148354D+01 -0.436377D+01  0.101173D+01  0.204832D+01
      2   0.298395D+01  0.187185D+01  0.361013D+01 -0.921352D+00
      3  -0.150042D+01  0.249192D+01 -0.462186D+01 -0.112697D+01
      4  -0.958318D+01  0.114929D+02 -0.138262D+02 -0.715538D+01
      5  -0.573535D+01  0.905495D+01 -0.468333D+01 -0.688827D+01
      6   0.648801D+01 -0.651346D+01  0.443558D+01  0.592702D+01
 Leave Link  716 at Thu Jul 22 19:52:35 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129472D+03  0.400842D+01  0.737242D+00
      2   0.400842D+01  0.119118D+03  0.234874D+01
      3   0.737242D+00  0.234874D+01  0.100488D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.844975D+00  0.308509D+00  0.292860D+01
      2   0.813487D+01 -0.770150D+01  0.990334D+01
      3   0.175087D+02  0.274431D+02  0.644743D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186583D+02 -0.486357D+02  0.829650D+01
      2  -0.132051D+00  0.480218D+02 -0.117792D+02
      3   0.187903D+02  0.613878D+00  0.348266D+01
      4  -0.421997D+02 -0.469055D+02 -0.218904D+02
      5   0.210486D+02 -0.197220D+02  0.330285D+02
      6  -0.106144D+02  0.510531D+01 -0.195165D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248959D+01 -0.515731D+00 -0.194095D+01  0.306857D+00 -0.193278D+01
      2  -0.515731D+00 -0.435650D+00 -0.138851D+01 -0.193278D+01 -0.444492D+01
      3  -0.194095D+01 -0.138851D+01 -0.415915D+01 -0.134370D+00 -0.184082D+00
                 6             7             8             9            10 
      1  -0.134370D+00 -0.362137D+01 -0.232439D+01 -0.414369D+01 -0.200295D+01
      2  -0.184082D+00 -0.232439D+01  0.178489D+01  0.906317D+00  0.996401D+00
      3   0.144660D+01 -0.414369D+01  0.906317D+00  0.105679D+00 -0.119292D+00
                11            12            13            14            15 
      1   0.996401D+00 -0.119292D+00  0.170521D+00 -0.166456D+01  0.135122D+01
      2  -0.105506D+01  0.304903D+01 -0.166456D+01  0.528945D+01  0.407682D+00
      3   0.304903D+01 -0.250046D+01  0.135122D+01  0.407682D+00  0.489604D+00
                16            17            18            19            20 
      1  -0.448934D+00  0.452626D+01 -0.225542D+01 -0.190208D+00 -0.113970D+01
      2   0.452626D+01  0.600674D+00  0.118394D+01 -0.113970D+01 -0.959795D+00
      3  -0.225542D+01  0.118394D+01  0.103149D+00  0.566935D+00  0.137058D+01
                21            22            23            24            25 
      1   0.566935D+00 -0.126207D+01  0.497664D+00  0.118173D+01  0.103799D+01
      2   0.137058D+01  0.497664D+00  0.920484D+01 -0.310734D+00  0.126109D+01
      3   0.191561D+01  0.118173D+01 -0.310734D+00  0.244618D+01  0.300669D+01
                26            27            28            29            30 
      1   0.126109D+01  0.300669D+01 -0.456276D+01 -0.252140D+01 -0.461011D+00
      2  -0.798632D+00  0.465650D+01 -0.252140D+01 -0.327246D+01 -0.935320D+00
      3   0.465650D+01  0.348998D+01 -0.461011D+00 -0.935320D+00 -0.126228D+01
                31            32            33            34            35 
      1  -0.327517D+01 -0.572494D+01 -0.202506D+01 -0.936616D+00 -0.163080D+01
      2  -0.572494D+01 -0.166821D+02 -0.583795D+00 -0.163080D+01 -0.145610D+01
      3  -0.202506D+01 -0.583795D+00 -0.344397D+01 -0.254630D+01 -0.300446D+01
                36            37            38            39            40 
      1  -0.254630D+01  0.292702D+01  0.561874D+00  0.848045D+00 -0.484930D+00
      2  -0.300446D+01  0.561874D+00  0.410778D+01  0.260149D+01  0.565666D+01
      3  -0.165603D+01  0.848045D+00  0.260149D+01  0.191209D+01  0.217501D+01
                41            42            43            44            45 
      1   0.565666D+01  0.217501D+01  0.144682D+01  0.238816D+01  0.402048D+01
      2   0.486108D+01 -0.283820D+01  0.238816D+01 -0.313153D+01  0.409755D+01
      3  -0.283820D+01  0.243590D+01  0.402048D+01  0.409755D+01  0.119769D+01
                46            47            48            49            50 
      1   0.493985D+01  0.166023D+01 -0.382854D+00  0.308157D+01  0.664208D+01
      2   0.166023D+01  0.659561D+01  0.264831D+01  0.664208D+01  0.138455D+02
      3  -0.382854D+00  0.264831D+01  0.155629D+01  0.253169D+01 -0.776815D+00
                51            52            53            54            55 
      1   0.253169D+01  0.444056D-02  0.311492D+01  0.180203D+01 -0.135018D+01
      2  -0.776815D+00  0.311492D+01 -0.118074D+01  0.345532D+01 -0.109377D+01
      3   0.284039D+01  0.180203D+01  0.345532D+01  0.190607D+01 -0.557855D+00
                56            57            58            59            60 
      1  -0.109377D+01 -0.557855D+00 -0.986712D+00 -0.328952D+01 -0.170655D+01
      2  -0.352660D+01 -0.255656D+01 -0.328952D+01 -0.868450D+01  0.127922D+01
      3  -0.255656D+01 -0.754305D+00 -0.170655D+01  0.127922D+01 -0.291382D+01
                61            62            63            64            65 
      1  -0.539283D+00 -0.233420D+01 -0.129036D+01  0.245239D+01  0.130580D+00
      2  -0.233420D+01  0.168619D+01 -0.568236D+01  0.130580D+00  0.114223D+01
      3  -0.129036D+01 -0.568236D+01 -0.171149D+01  0.369224D+01 -0.612389D+00
                66            67            68            69            70 
      1   0.369224D+01  0.346589D+00  0.472943D+01 -0.871787D-01  0.612388D+01
      2  -0.612389D+00  0.472943D+01 -0.381622D+01  0.266648D+01 -0.730949D+00
      3   0.398383D+01 -0.871787D-01  0.266648D+01  0.296884D+00  0.455184D+01
                71            72            73            74            75 
      1  -0.730949D+00  0.455184D+01  0.192019D+01 -0.130651D+01 -0.149394D+01
      2   0.180619D+01  0.102794D+00 -0.130651D+01  0.812364D+00  0.879554D+00
      3   0.102794D+00 -0.180430D+00 -0.149394D+01  0.879554D+00  0.244059D+01
                76            77            78            79            80 
      1  -0.126726D+01  0.575183D+00  0.528928D+00 -0.174256D+01  0.945268D+00
      2   0.575183D+00 -0.174689D+01 -0.208287D+01  0.945268D+00 -0.220048D+01
      3   0.528928D+00 -0.208287D+01 -0.266692D+01  0.206622D+01 -0.279292D+01
                81            82            83            84            85 
      1   0.206622D+01  0.373280D+01  0.178012D+01 -0.182837D+01  0.154277D+01
      2  -0.279292D+01  0.178012D+01  0.173444D+01 -0.164309D+01  0.132459D+01
      3  -0.625098D+01 -0.182837D+01 -0.164309D+01  0.227698D+01 -0.122009D+01
                86            87            88            89            90 
      1   0.132459D+01 -0.122009D+01 -0.227080D+01 -0.170028D+01  0.216998D+01
      2   0.332685D+01 -0.202654D+01 -0.170028D+01 -0.211707D+01  0.208992D+01
      3  -0.202654D+01  0.166629D+01  0.216998D+01  0.208992D+01 -0.339841D+01
                91            92            93            94            95 
      1  -0.449724D+01 -0.183141D+01 -0.224477D+01 -0.230984D+01 -0.279495D+01
      2  -0.183141D+01 -0.143453D+01 -0.117625D+01 -0.279495D+01 -0.303994D+01
      3  -0.224477D+01 -0.117625D+01 -0.183027D+01 -0.114707D+01 -0.115665D+01
                96            97            98            99           100 
      1  -0.114707D+01 -0.495367D+01 -0.259988D+01 -0.324961D+01 -0.590534D+01
      2  -0.115665D+01 -0.259988D+01 -0.215733D+01 -0.257925D+01  0.197814D+01
      3  -0.164038D+01 -0.324961D+01 -0.257925D+01 -0.444221D+01  0.157948D+01
               101           102           103           104           105 
      1   0.197814D+01  0.157948D+01  0.450002D+01 -0.203019D+01 -0.134657D+01
      2  -0.124035D+01 -0.667365D+00 -0.203019D+01  0.200842D+01  0.986665D+00
      3  -0.667365D+00 -0.130553D+01 -0.134657D+01  0.986665D+00  0.994557D+00
               106           107           108           109           110 
      1   0.225628D+01 -0.827714D+00 -0.197432D+01 -0.434728D+00 -0.915278D+00
      2  -0.827714D+00  0.907380D+00  0.416746D+00 -0.915278D+00 -0.630477D-01
      3  -0.197432D+01  0.416746D+00  0.139635D+01  0.549457D+00 -0.221078D+00
               111           112           113           114           115 
      1   0.549457D+00 -0.273888D+01 -0.283255D+01  0.701950D+00  0.176803D+01
      2  -0.221078D+00 -0.283255D+01 -0.668201D+01  0.302753D+01  0.102867D+01
      3  -0.231529D+00  0.701950D+00  0.302753D+01 -0.242491D+01 -0.169858D+01
               116           117           118           119           120 
      1   0.102867D+01 -0.169858D+01  0.171587D+01  0.134661D+01  0.129325D+01
      2   0.362984D+01 -0.325111D+01  0.134661D+01  0.182940D+01  0.126083D+01
      3  -0.325111D+01  0.303545D+01  0.129325D+01  0.126083D+01  0.114695D+01
               121           122           123           124           125 
      1   0.123198D+01  0.164123D+01  0.735813D+00  0.247655D+01  0.151278D+01
      2   0.164123D+01  0.590926D+01  0.220767D+01  0.151278D+01  0.439808D+01
      3   0.735813D+00  0.220767D+01  0.201190D+01  0.136160D+01  0.417734D+01
               126           127           128           129           130 
      1   0.136160D+01 -0.478015D+00  0.123734D+01 -0.707901D+00  0.168237D+01
      2   0.417734D+01  0.123734D+01 -0.944265D+00  0.691478D+00  0.467178D+00
      3   0.450252D+01 -0.707901D+00  0.691478D+00 -0.154388D+00  0.232598D+00
               131           132           133           134           135 
      1   0.467178D+00  0.232598D+00 -0.135556D+01  0.305485D+00  0.213710D+00
      2   0.103046D+02 -0.336278D+01  0.305485D+00 -0.502245D+01  0.375419D+01
      3  -0.336278D+01  0.207162D+01  0.213710D+00  0.375419D+01 -0.240232D+01
               136           137           138           139           140 
      1   0.519031D+01 -0.187634D+01 -0.230064D+01 -0.216010D+01 -0.283552D+01
      2  -0.187634D+01 -0.180660D+01 -0.621864D+00 -0.283552D+01  0.445175D+01
      3  -0.230064D+01 -0.621864D+00 -0.297082D+01 -0.695094D+00 -0.443097D+01
               141           142           143           144           145 
      1  -0.695094D+00 -0.302088D+01 -0.314159D+00 -0.314681D+01 -0.204418D-01
      2  -0.443097D+01 -0.314159D+00 -0.310865D+01 -0.118675D+01 -0.162048D+01
      3  -0.151520D+01 -0.314681D+01 -0.118675D+01  0.819639D-01 -0.263750D+01
               146           147           148           149           150 
      1  -0.162048D+01 -0.263750D+01 -0.194022D+01 -0.508607D+01 -0.552788D+00
      2  -0.299196D+01 -0.348106D+00 -0.508607D+01  0.485622D+01 -0.236090D+01
      3  -0.348106D+00 -0.247727D+01 -0.552788D+00 -0.236090D+01 -0.167145D+01
               151           152           153           154           155 
      1  -0.305997D+01 -0.523266D+00 -0.353019D+01 -0.715612D+01  0.986023D+00
      2  -0.523266D+00 -0.257278D+01 -0.156345D+01  0.986023D+00 -0.697576D+00
      3  -0.353019D+01 -0.156345D+01  0.484469D+01  0.906932D+00  0.329220D+00
               156           157           158           159           160 
      1   0.906932D+00  0.129119D+01 -0.424836D+00  0.164677D+00  0.977087D+00
      2   0.329220D+00 -0.424836D+00 -0.187590D+00  0.655712D+00  0.937225D-01
      3  -0.209419D+01  0.164677D+00  0.655712D+00  0.668665D+00 -0.122737D+01
               161           162           163           164           165 
      1   0.937225D-01 -0.122737D+01  0.254755D+01  0.124805D+01  0.257162D+01
      2   0.536374D+00  0.372196D+00  0.124805D+01  0.121135D+01  0.859939D+00
      3   0.372196D+00  0.925554D+00  0.257162D+01  0.859939D+00  0.327768D+01
               166           167           168           169           170 
      1   0.190042D+01  0.152582D+01  0.144287D+01  0.194598D+01  0.762891D+00
      2   0.152582D+01  0.158216D+01  0.230716D+01  0.762891D+00  0.143807D+01
      3   0.144287D+01  0.230716D+01  0.332950D+01  0.256317D+01  0.175400D+01
               171           172           173           174           175 
      1   0.256317D+01  0.660961D+00 -0.114694D+01  0.116469D+01 -0.142737D+01
      2   0.175400D+01 -0.114694D+01  0.124614D+01 -0.510913D+00  0.184030D+01
      3   0.522535D+01  0.116469D+01 -0.510913D+00  0.119500D+01 -0.785549D+00
               176           177           178           179           180 
      1   0.184030D+01 -0.785549D+00  0.663793D+00 -0.394192D+00  0.947078D+00
      2  -0.673002D+01  0.362997D+01 -0.394192D+00  0.188172D+01 -0.178396D+01
      3   0.362997D+01 -0.315663D+01  0.947078D+00 -0.178396D+01  0.219378D+01
               181           182           183           184           185 
      1   0.127541D+01  0.411646D+00 -0.156076D+01  0.842330D+00  0.936852D+00
      2   0.411646D+00  0.475914D+00 -0.132899D-01  0.936852D+00 -0.150128D+00
      3  -0.156076D+01 -0.132899D-01  0.157231D+01 -0.211607D+00 -0.660132D+00
               186           187           188           189           190 
      1  -0.211607D+00 -0.313407D+01  0.109349D+00  0.304778D+01  0.240561D+01
      2  -0.660132D+00  0.109349D+00 -0.805883D+00  0.498734D+00 -0.183335D+01
      3   0.813358D+00  0.304778D+01  0.498734D+00 -0.684883D+01  0.657899D+00
               191           192           193           194           195 
      1  -0.183335D+01  0.657899D+00 -0.405212D+01  0.421926D+01 -0.386591D+00
      2   0.180669D+01 -0.271262D+00  0.421926D+01 -0.742521D+01  0.124148D+01
      3  -0.271262D+00  0.475725D+00 -0.386591D+00  0.124148D+01 -0.114221D+01
               196           197           198           199           200 
      1   0.150885D+01 -0.666639D+00  0.123235D+01  0.622384D+01  0.197632D+01
      2  -0.666639D+00  0.136714D+01 -0.104428D+01  0.197632D+01  0.150891D+01
      3   0.123235D+01 -0.104428D+01  0.378985D+00  0.214350D+01  0.719673D+00
               201           202           203           204           205 
      1   0.214350D+01  0.427515D+01  0.266669D+01  0.119901D+01  0.400432D+01
      2   0.719673D+00  0.266669D+01  0.187820D+01  0.137264D+01  0.925900D+00
      3   0.151918D+01  0.119901D+01  0.137264D+01  0.153103D+01  0.247274D+01
               206           207           208           209           210 
      1   0.925900D+00  0.247274D+01  0.986779D-01 -0.104003D+01  0.388403D+00
      2   0.140423D+01  0.114983D+01 -0.104003D+01  0.399566D-01 -0.356594D+00
      3   0.114983D+01  0.190130D+01  0.388403D+00 -0.356594D+00 -0.224593D+00
               211           212           213           214           215 
      1  -0.159988D+01 -0.560342D+00 -0.467473D-02  0.140760D+01  0.100333D+00
      2  -0.560342D+00 -0.900842D+01  0.156236D+01  0.100333D+00  0.392452D+01
      3  -0.467473D-02  0.156236D+01 -0.143243D+01 -0.608851D+00 -0.247707D+01
               216           217           218           219           220 
      1  -0.608851D+00 -0.195737D+01 -0.953980D+00 -0.188401D+01 -0.651573D+00
      2  -0.247707D+01 -0.953980D+00 -0.162792D+01 -0.161699D+01 -0.110775D+01
      3   0.100426D+01 -0.188401D+01 -0.161699D+01 -0.197210D+01 -0.901720D+00
               221           222           223           224           225 
      1  -0.110775D+01 -0.901720D+00 -0.264914D+01 -0.134991D+01 -0.222121D+01
      2  -0.379224D+01 -0.227543D+01 -0.134991D+01 -0.290105D+01 -0.402301D+01
      3  -0.227543D+01 -0.219937D+01 -0.222121D+01 -0.402301D+01 -0.646097D+01
               226           227           228           229           230 
      1  -0.504553D+01  0.348160D+01  0.175739D+01  0.298435D+01 -0.243894D+01
      2   0.348160D+01 -0.245500D+01 -0.147052D+01 -0.243894D+01  0.487189D+01
      3   0.175739D+01 -0.147052D+01 -0.133535D+01 -0.104058D+01  0.170533D+01
               231           232           233           234 
      1  -0.104058D+01  0.211123D+01 -0.167844D+01 -0.156296D+01
      2   0.170533D+01 -0.167844D+01  0.208741D+01  0.773256D+00
      3   0.116481D+01 -0.156296D+01  0.773256D+00  0.105887D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.898361D+00  0.706401D+00 -0.902221D+00  0.913078D+00  0.960984D+01
      2  -0.324136D+01 -0.304613D-01 -0.308301D+01 -0.190775D+00 -0.418645D+01
      3   0.317827D-01 -0.348967D+01  0.172619D+01  0.759399D+01  0.900818D+01
                 6             7             8             9            10 
      1  -0.151079D+01  0.180776D+01  0.223550D+01  0.511009D+00 -0.104634D+01
      2  -0.173799D+00 -0.134832D+02 -0.352735D+01 -0.611655D+01 -0.215414D+01
      3   0.326694D+01  0.598828D+01 -0.143053D+00  0.415384D+01 -0.118646D+01
                11            12            13            14            15 
      1  -0.363307D+01 -0.699918D+00 -0.210475D+01 -0.887512D+01 -0.439181D+01
      2   0.403498D+01 -0.865310D+00  0.234904D+01  0.507409D+00  0.197077D+01
      3  -0.605531D+01 -0.338687D+01  0.687374D+01 -0.120751D+02  0.240813D+01
                16            17            18            19            20 
      1  -0.437328D+01  0.229908D+01 -0.232771D+01  0.197977D+01  0.364749D+01
      2  -0.670244D+01  0.660364D+01 -0.766745D+00 -0.241914D+01 -0.976463D+00
      3  -0.697875D+01  0.340020D+01 -0.518763D+01 -0.838311D+00 -0.470379D+01
                21            22            23            24            25 
      1   0.229825D+01  0.229412D+01 -0.990674D+01  0.428772D+01  0.448168D+01
      2   0.647293D+00 -0.234135D+01 -0.252103D+00 -0.319634D+01 -0.565628D+01
      3   0.246577D+00  0.520832D+01  0.131548D+02 -0.123962D+01  0.146627D+01
                26            27            28            29            30 
      1   0.171929D+02  0.357980D+01 -0.280865D+00 -0.805519D+00  0.222782D+00
      2  -0.421077D+01 -0.163718D+01 -0.113276D+01  0.587256D+01  0.343186D+01
      3  -0.287350D+01  0.271779D+01 -0.109674D+02 -0.191046D+02 -0.474569D+01
                31            32            33            34            35 
      1   0.274644D+00 -0.347694D+01  0.391389D+00  0.102976D+01  0.100016D+02
      2   0.746407D+01  0.294682D+01  0.929505D+01 -0.333540D+01  0.680994D+01
      3  -0.137402D+02 -0.411644D+02 -0.253230D+01 -0.680922D+01 -0.367163D+01
                36            37            38            39            40 
      1   0.214792D+01  0.120853D+01  0.435594D+01  0.375051D+01  0.374262D+01
      2   0.561654D+01 -0.443498D+01 -0.111386D+02 -0.472806D+01 -0.799601D+01
      3  -0.763771D+01 -0.302166D+01  0.116471D+02  0.906449D+01  0.251297D+02
                41            42            43            44            45 
      1  -0.265016D+01  0.996025D+00  0.782030D+01  0.851652D+01  0.252421D+01
      2   0.974100D+01 -0.954048D+01 -0.198397D+02 -0.192089D+02 -0.569478D+01
      3   0.142316D+02 -0.130290D+02  0.691410D+01 -0.154888D+02  0.117730D+02
                46            47            48            49            50 
      1  -0.347306D+00 -0.239891D+01 -0.162357D+01 -0.132220D+01  0.480604D+01
      2  -0.240575D+01 -0.418562D+01 -0.307763D+01 -0.330661D+01 -0.100174D+01
      3   0.465511D+01  0.722469D+01  0.401416D+01  0.187185D+02  0.442050D+02
                51            52            53            54            55 
      1  -0.403158D+01  0.144568D+00  0.173890D+01 -0.844235D+00  0.144566D+01
      2  -0.774400D+01 -0.129825D+02 -0.105936D+02 -0.412909D+01 -0.160458D+01
      3   0.262404D+01  0.560571D+01  0.286006D+01  0.963079D+01 -0.422802D+01
                56            57            58            59            60 
      1   0.666129D+01  0.234949D+01  0.430224D+01 -0.524718D+01  0.645017D+01
      2   0.854230D+00  0.188024D+01  0.772316D+00  0.742122D+00  0.453944D+00
      3  -0.939560D+01 -0.304166D+01 -0.773066D+00 -0.126407D+02 -0.302912D+01
                61            62            63            64            65 
      1   0.566990D+01  0.220855D+02  0.622995D+01  0.209068D+01  0.267575D+01
      2  -0.289166D+01 -0.167445D+01  0.643812D+00  0.136375D+02 -0.317053D+01
      3  -0.446929D+01 -0.536940D+01 -0.556579D+01  0.101082D+00 -0.819850D+01
                66            67            68            69            70 
      1   0.169088D+01 -0.389267D+01  0.110688D+01 -0.566155D+01  0.264256D+00
      2   0.142661D+02 -0.306690D+00  0.634925D+01  0.122508D+01  0.308277D+01
      3   0.599418D+00 -0.532729D+01  0.728026D+01 -0.559722D+01 -0.601798D+00
                71            72            73            74            75 
      1   0.554387D+01 -0.588120D+00  0.518669D+00 -0.741677D+00  0.110909D+01
      2   0.112268D+01 -0.203318D+01  0.308095D+01 -0.119606D+01  0.973914D+00
      3  -0.503786D+01 -0.197763D+01 -0.781205D+00 -0.993797D+00  0.550622D+00
                76            77            78            79            80 
      1  -0.169288D+00  0.132097D+01 -0.411393D+00  0.607000D+00  0.326841D+01
      2  -0.183670D+01 -0.984551D+00 -0.171557D+01 -0.352521D+01 -0.529770D+00
      3   0.270265D+01  0.644261D+00  0.131354D+01  0.177435D+01  0.205193D+01
                81            82            83            84            85 
      1  -0.145972D+01  0.106965D+01 -0.291762D+00 -0.179059D+01  0.168624D+00
      2  -0.149089D+01  0.255317D+01 -0.383882D+00  0.233135D+01  0.273540D-01
      3   0.471670D+00  0.381363D+01 -0.149229D+01 -0.520113D+00  0.264783D+01
                86            87            88            89            90 
      1  -0.160506D+01 -0.138976D+01 -0.144959D+01  0.128229D+01  0.290721D+01
      2  -0.916361D+00  0.109461D+01 -0.192018D+01  0.142484D+00 -0.212759D+01
      3  -0.271478D+01  0.986514D+00 -0.159755D+01  0.149133D+01  0.957152D+00
                91            92            93            94            95 
      1  -0.314336D+01 -0.132972D+01 -0.258027D+01 -0.199138D+01 -0.108599D+01
      2   0.774644D+01  0.444076D+01  0.814524D+01  0.427662D+01  0.444048D+01
      3  -0.232638D+01 -0.549574D+01 -0.253452D+01 -0.633734D+01 -0.891934D+01
                96            97            98            99           100 
      1  -0.300127D+01 -0.435837D+01 -0.214073D+01 -0.539086D+01  0.224889D+01
      2   0.671985D+01  0.100983D+02  0.974126D+01  0.171106D+02 -0.408609D+01
      3  -0.291839D+01 -0.365760D+01 -0.590214D+01 -0.651775D+01  0.115930D+02
               101           102           103           104           105 
      1  -0.165016D+01 -0.946840D+00 -0.158711D+01  0.239525D+01 -0.225035D+00
      2   0.205085D+01  0.601783D+01  0.330049D+01 -0.333036D+01 -0.425895D+01
      3  -0.798821D+01 -0.404849D+01 -0.818814D+01  0.105876D+02  0.471892D+01
               106           107           108           109           110 
      1  -0.201979D+01  0.161310D+01  0.838938D+00 -0.342838D-01 -0.723457D+00
      2   0.473456D+01 -0.138875D+01 -0.484304D+01 -0.186651D+01  0.169188D+01
      3  -0.458585D+01  0.514371D+01  0.282395D+01 -0.318723D+01 -0.692216D+00
               111           112           113           114           115 
      1  -0.412585D+00  0.683837D+00  0.633811D+00 -0.365650D+01 -0.220823D+01
      2   0.113477D+01 -0.993818D+00 -0.102971D+02  0.897838D+01  0.345355D+01
      3  -0.126425D+01 -0.546640D+01 -0.219018D+02  0.103793D+02  0.124687D+01
               116           117           118           119           120 
      1  -0.137571D+01  0.302499D+01 -0.425320D+01 -0.326903D+01 -0.369634D+01
      2   0.111074D+02 -0.103634D+02 -0.131545D+01 -0.103976D+01  0.693793D+00
      3   0.132014D+02 -0.101735D+02  0.575374D+01  0.197909D+01  0.377634D+01
               121           122           123           124           125 
      1  -0.149811D+01 -0.481317D+01 -0.645715D+01 -0.375543D+01 -0.915249D+01
      2  -0.682563D+00 -0.944786D+00  0.122801D-01 -0.215043D+01 -0.657709D+00
      3   0.553925D+01  0.599001D+01  0.230106D+01  0.911361D+01  0.484731D+01
               126           127           128           129           130 
      1  -0.129622D+02  0.154648D+01 -0.200353D+01  0.127206D+00  0.136518D+00
      2  -0.101196D+01  0.532314D+00  0.800382D+00  0.930888D+00  0.342083D+00
      3   0.434149D+01 -0.116511D+01  0.139155D+01 -0.140388D+01  0.736679D+01
               131           132           133           134           135 
      1   0.672047D+01 -0.680169D+01 -0.202384D+01 -0.733787D+01  0.611763D+01
      2  -0.762120D+00 -0.706740D-01 -0.177155D+01  0.347338D-01 -0.481579D-02
      3   0.475295D+01 -0.151715D+00 -0.414687D+01 -0.350811D+00  0.209788D+01
               136           137           138           139           140 
      1  -0.664544D+01 -0.436978D+01 -0.270297D+01 -0.681975D+01  0.773838D+01
      2  -0.171598D+02  0.308300D+01  0.532017D+01  0.367843D+01 -0.190293D+01
      3   0.197678D-01  0.142887D+01  0.253733D+01  0.842211D+01 -0.578806D+01
               141           142           143           144           145 
      1  -0.140976D+02 -0.238413D+01 -0.652421D+01 -0.330445D+01 -0.136893D+01
      2  -0.743230D+00  0.597834D+00 -0.108297D+01  0.558564D+01 -0.966259D+01
      3   0.730566D+01  0.237180D+01  0.503842D+01  0.342214D+01  0.674445D+01
               146           147           148           149           150 
      1  -0.149525D-01 -0.188547D+01  0.447282D+00 -0.216380D+01 -0.234893D+01
      2  -0.141916D+01 -0.922528D+01 -0.210282D+01 -0.975984D+01 -0.589868D+01
      3   0.115480D+02  0.265288D+01  0.241299D+02 -0.156867D+02  0.907823D+01
               151           152           153           154           155 
      1  -0.265906D+01  0.163974D+01  0.321292D+01  0.397804D+01 -0.253334D+01
      2  -0.186282D+02 -0.500696D+01  0.172349D+02  0.220833D+02 -0.288552D+01
      3   0.321067D+01  0.885279D+01  0.745362D+01  0.299872D+01 -0.120343D+01
               156           157           158           159           160 
      1  -0.208090D+00 -0.228589D+01  0.548479D+00  0.258739D+00 -0.768636D+00
      2  -0.167294D+01 -0.369248D+01  0.170376D+01  0.504765D-01 -0.498254D+01
      3  -0.451176D+00  0.206227D+01  0.857966D-01 -0.541042D+00 -0.349058D+00
               161           162           163           164           165 
      1   0.155332D+01  0.817206D+00  0.384641D+01  0.447858D+01  0.270314D+01
      2   0.391582D+00  0.269431D+01 -0.147100D+01 -0.127205D+01  0.185341D+01
      3   0.242016D+00  0.182982D+00 -0.204039D+01 -0.368240D+01 -0.208612D+01
               166           167           168           169           170 
      1   0.389390D+01  0.552608D+01  0.493093D+01  0.295483D+01  0.585598D+01
      2  -0.291535D+01  0.692098D+00  0.281517D+01 -0.264311D+01  0.854939D+00
      3  -0.138424D+01 -0.353854D+01 -0.388909D+01 -0.129899D+01 -0.322854D+01
               171           172           173           174           175 
      1   0.575032D+01 -0.106965D+01  0.258167D+01  0.419829D+00  0.332770D+01
      2   0.327983D+01  0.849379D+00  0.829726D+00  0.698131D+00  0.282437D+01
      3  -0.354224D+01  0.101617D+01 -0.208316D+01  0.242602D+00  0.116571D+01
               176           177           178           179           180 
      1  -0.131378D+02  0.274885D+01 -0.500365D+00  0.445537D+01 -0.197873D+01
      2   0.255435D+01 -0.398768D+01 -0.149299D+01 -0.150426D+01  0.172175D+01
      3   0.946936D+01 -0.495115D+01 -0.563574D+00 -0.268390D+01  0.214597D+01
               181           182           183           184           185 
      1  -0.103183D+01 -0.536833D+00  0.862004D+00 -0.897675D-01 -0.481775D+00
      2  -0.531451D+01  0.120668D+00  0.618962D+01  0.643946D-01 -0.166235D+01
      3  -0.190235D+01 -0.235192D+01  0.969455D+00 -0.221401D+01 -0.192620D+00
               186           187           188           189           190 
      1  -0.228054D+00  0.133095D+01  0.300970D+01 -0.363655D+01  0.504596D+00
      2   0.295495D+01  0.597902D+01  0.211908D+01 -0.241161D+02  0.239100D+01
      3   0.228372D+01  0.894068D+00  0.382981D+01 -0.324485D+01  0.504909D+01
               191           192           193           194           195 
      1  -0.395985D+00  0.965510D+00 -0.336503D+00  0.140420D+01 -0.353677D+01
      2  -0.135555D+01  0.316051D+01 -0.146231D+01  0.504224D+01 -0.512029D+01
      3  -0.703883D+01  0.766503D+00 -0.954196D+01  0.250135D+02 -0.445760D+01
               196           197           198           199           200 
      1   0.771269D+00  0.583532D-01  0.664966D+00  0.115973D+01  0.756244D+00
      2   0.301918D+01 -0.320137D+01  0.136523D+01  0.761039D+01  0.293534D+01
      3   0.776486D+00 -0.473790D+01  0.263319D+01 -0.979402D+01 -0.821670D+01
               201           202           203           204           205 
      1   0.129572D+00  0.702697D+00  0.103630D+01 -0.755708D+00  0.992197D+00
      2   0.788702D+01  0.408277D+01  0.522139D+01  0.675242D+01  0.707703D+01
      3  -0.381607D+01 -0.950909D+01 -0.880225D+01 -0.564343D+01 -0.458451D+01
               206           207           208           209           210 
      1   0.159507D+01  0.110583D+00  0.220883D+01 -0.920457D+00  0.769667D-01
      2   0.429598D+01  0.750829D+01 -0.614373D+00  0.509020D+00  0.158671D+01
      3  -0.668085D+01 -0.524859D+01 -0.188709D+01  0.708359D+00 -0.147350D+01
               211           212           213           214           215 
      1   0.469039D+00  0.101619D+02 -0.642599D+01 -0.118437D+01 -0.727534D+01
      2  -0.989315D+00 -0.261477D+01  0.161426D+01  0.636158D+00  0.285550D+01
      3   0.554656D+01 -0.103978D+02  0.144341D+01 -0.430376D+01  0.502742D+01
               216           217           218           219           220 
      1   0.501047D+01 -0.233021D+01 -0.158079D+01 -0.249805D+01 -0.346498D+00
      2  -0.204277D+01 -0.461001D+00  0.695069D+00  0.136193D+01 -0.518230D+00
      3  -0.203016D+01  0.273813D+01 -0.242145D+01  0.430643D+00  0.185740D+01
               221           222           223           224           225 
      1   0.494965D+00 -0.292108D+01 -0.152866D+01 -0.271476D+01 -0.766071D+01
      2   0.144280D+01  0.162410D+01 -0.335978D+01  0.305502D+01  0.500134D+01
      3  -0.382155D+01 -0.104281D+01  0.358364D+01 -0.183761D+01 -0.188951D+01
               226           227           228           229           230 
      1  -0.135616D+01  0.133563D+01  0.324167D+01  0.719570D+00 -0.123237D+01
      2  -0.772363D+00  0.230773D+01  0.438819D+01  0.153090D+00 -0.276824D+01
      3  -0.318905D+01 -0.879310D+00  0.264045D-01  0.225538D+01  0.521589D+01
               231           232           233           234 
      1  -0.245786D+01  0.333930D+01  0.213519D+01 -0.212613D+01
      2  -0.311166D+01  0.194849D+01  0.145714D+01 -0.174795D+01
      3   0.127684D+01  0.100095D+01  0.201960D+01 -0.179015D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.115843D+02 -0.567720D+01 -0.100798D+02 -0.419245D+01 -0.299365D+01
      2   0.768095D+01  0.199005D+01  0.927061D+00 -0.237027D-01  0.744841D+01
      3   0.390335D+01  0.368715D+01  0.915272D+01  0.421615D+01 -0.445476D+01
      4   0.173012D+01 -0.223142D+00 -0.200958D+01 -0.268318D+01 -0.330465D+01
      5  -0.660425D-01 -0.443264D+01 -0.839804D+01  0.662558D+00  0.119163D+00
      6  -0.178008D+01  0.133301D+01  0.574198D+01  0.291824D+01  0.361415D+01
                 6             7             8             9            10 
      1   0.602729D+01 -0.178597D+02 -0.221493D+00 -0.275227D+01 -0.593148D+01
      2  -0.148930D+01  0.546496D+01  0.274069D+01  0.581369D+01  0.534380D+01
      3  -0.453799D+01  0.123948D+02 -0.251920D+01 -0.306141D+01  0.587681D+00
      4  -0.410103D-01 -0.405362D+01  0.646161D+01  0.784939D+01 -0.770195D+00
      5   0.571597D+01 -0.741684D+01  0.625645D+01  0.817920D+01  0.404067D+01
      6  -0.368774D+01  0.828484D+01 -0.348042D+01 -0.640894D+01  0.479281D+01
                11            12            13            14            15 
      1   0.755822D+01 -0.471754D+01  0.630786D+01 -0.967146D+01  0.542529D+00
      2  -0.920433D+00  0.341423D+01 -0.130043D+01  0.118333D+02  0.124562D+01
      3  -0.663779D+01  0.130331D+01 -0.500743D+01 -0.216181D+01 -0.178815D+01
      4  -0.545320D+01  0.955062D+01 -0.866903D+01  0.737287D+01  0.608856D+01
      5   0.787967D+01 -0.831716D+01  0.265959D+01  0.286548D+01 -0.361188D+01
      6   0.265874D+01 -0.598810D+01  0.618926D+01  0.120032D+01 -0.613094D+00
                16            17            18            19            20 
      1  -0.655581D+01  0.109763D+02 -0.689509D+01  0.305568D+00  0.858270D+01
      2   0.468857D+01 -0.655649D+01  0.667707D+01  0.225371D+01 -0.213106D+01
      3   0.186724D+01 -0.441976D+01  0.218024D+00 -0.255928D+01 -0.645164D+01
      4   0.149830D+02  0.575788D+01 -0.237652D+01  0.327214D+01  0.162751D+01
      5  -0.833134D+01 -0.323992D+01  0.442223D+01 -0.278479D+01 -0.281064D+01
      6  -0.653535D+01 -0.103669D+01  0.384828D+01 -0.687025D+00 -0.532111D+01
                21            22            23            24            25 
      1   0.655891D+01  0.127061D+02  0.186150D+02 -0.396455D+01  0.705500D+01
      2  -0.132119D+01 -0.677842D+01 -0.232182D+02  0.103298D+02 -0.245694D+00
      3  -0.523772D+01 -0.592771D+01  0.460314D+01 -0.636524D+01 -0.680930D+01
      4  -0.511191D+01 -0.654826D+00 -0.168986D+02 -0.527281D+01 -0.618612D+01
      5  -0.717612D+01 -0.420057D+01 -0.462750D+01 -0.886495D+01 -0.904091D+01
      6  -0.730908D+01 -0.407830D+01  0.151378D+01 -0.950099D+01 -0.100798D+02
                26            27            28            29            30 
      1  -0.406791D+01  0.862498D+01  0.173259D+02  0.123529D+02  0.190390D+01
      2   0.192101D+02 -0.157960D+01 -0.131188D+02 -0.710196D+01 -0.253113D+01
      3  -0.151421D+02 -0.704538D+01 -0.420707D+01 -0.525098D+01  0.627236D+00
      4  -0.692088D+01 -0.156071D+02  0.357504D+01  0.194482D+02  0.571154D+01
      5  -0.142081D+02 -0.137905D+02  0.457752D+01  0.428630D+01  0.662961D+01
      6  -0.194371D+02 -0.145873D+02  0.564068D+00 -0.421810D+00 -0.234270D+01
                31            32            33            34            35 
      1   0.128020D+02  0.294294D+02  0.877196D+01  0.682408D+01  0.823611D+01
      2  -0.913954D+01 -0.219693D+02 -0.288712D+01 -0.684810D+01 -0.601200D+01
      3  -0.366248D+01 -0.746010D+01 -0.588484D+01  0.240172D-01 -0.222411D+01
      4   0.210440D+02  0.498317D+02  0.881053D+00  0.577817D+01  0.341978D+01
      5   0.608058D+01 -0.915849D+00  0.112712D+02  0.152818D+02  0.100674D+02
      6  -0.128580D+01  0.306981D+01  0.108042D+01 -0.180966D+00  0.842818D+01
                36            37            38            39            40 
      1   0.687255D+01 -0.186247D+02  0.293876D+01 -0.273680D+01  0.115990D+02
      2  -0.128374D+02  0.141965D+02 -0.295241D+01  0.363753D-01 -0.828596D+01
      3   0.596484D+01  0.442822D+01  0.136495D-01  0.270043D+01 -0.331306D+01
      4   0.724957D+01  0.563868D+01 -0.216628D+02 -0.185366D+02 -0.332150D+02
      5   0.938226D+01 -0.531544D+01 -0.196996D+02 -0.156217D+02 -0.184940D+02
      6  -0.202578D+01 -0.709290D+01 -0.416250D+01 -0.359395D+01  0.158439D+01
                41            42            43            44            45 
      1  -0.227577D+02 -0.234418D+02 -0.988120D+01 -0.275604D+02 -0.178411D+02
      2   0.108975D+02  0.156386D+02  0.446359D+01  0.188520D+02  0.788239D+01
      3   0.118602D+02  0.780317D+01  0.541761D+01  0.870845D+01  0.995866D+01
      4  -0.252127D+02  0.149375D+02 -0.204157D+02  0.142708D+02 -0.254617D+02
      5   0.188461D+02 -0.176214D+02 -0.320558D+02 -0.295944D+02 -0.103985D+02
      6   0.105137D+02 -0.125258D+02 -0.988960D+01 -0.181433D+02 -0.554088D+00
                46            47            48            49            50 
      1  -0.188139D+02 -0.123628D+02 -0.183392D+01 -0.235238D+02 -0.398464D+02
      2   0.103443D+02  0.137073D+02  0.256209D+01  0.218628D+02  0.364947D+02
      3   0.846953D+01 -0.134447D+01 -0.728166D+00  0.166109D+01  0.335166D+01
      4   0.659523D+01 -0.175252D+02 -0.121834D+02 -0.233373D+02 -0.338057D+02
      5   0.895931D+01 -0.972285D+01 -0.367042D+01 -0.915922D+01  0.737334D+01
      6  -0.642342D+01  0.799015D+01  0.317976D+01  0.815092D+01 -0.102121D+02
                51            52            53            54            55 
      1  -0.444901D+01 -0.326087D+01 -0.807668D+01 -0.151834D+02  0.394044D+01
      2   0.438390D+00  0.343270D+01 -0.346369D+01  0.252950D+01 -0.264728D+01
      3   0.401062D+01 -0.171826D+00  0.115404D+02  0.126539D+02 -0.129316D+01
      4   0.952912D+01 -0.174381D+02  0.131513D+02 -0.915608D+01  0.113164D+01
      5  -0.950438D+01 -0.165615D+01 -0.937145D+01 -0.134725D+01 -0.294860D+01
      6   0.421315D+01  0.466664D+01  0.150445D+02  0.485817D+00 -0.198354D+01
                56            57            58            59            60 
      1   0.942285D+01  0.873047D+01  0.938831D+01  0.397464D+02 -0.446013D+01
      2  -0.107628D+02 -0.106162D+02 -0.104077D+02 -0.432899D+02  0.955705D+01
      3   0.133992D+01  0.188570D+01  0.101940D+01  0.354344D+01 -0.509692D+01
      4   0.391506D+01  0.360085D+00  0.637857D+01  0.352955D+01 -0.103965D+02
      5  -0.164387D+00 -0.264386D+01  0.687700D-01 -0.625184D+01  0.692409D+00
      6  -0.111632D+02 -0.318932D+01 -0.647355D+01  0.122526D+02 -0.177003D+02
                61            62            63            64            65 
      1   0.904053D+01 -0.703175D+01  0.231359D+02 -0.133412D+01  0.354183D+01
      2  -0.905224D+01  0.146472D+02 -0.252439D+02 -0.440630D+01 -0.317243D+01
      3   0.117110D-01 -0.761546D+01  0.210799D+01  0.574042D+01 -0.369404D+00
      4  -0.135537D+01 -0.143508D+02 -0.220738D+01  0.264389D+01  0.442535D+01
      5  -0.114449D+01 -0.226133D+01 -0.388557D+01  0.108317D+02 -0.721595D+00
      6  -0.871244D+01 -0.355092D+02 -0.716484D+01 -0.205114D+01  0.335245D+01
                66            67            68            69            70 
      1   0.113097D+02  0.486323D+01  0.131141D+02  0.111953D+00  0.202178D+02
      2  -0.883802D+01 -0.277587D+01 -0.904625D+01 -0.138121D+01 -0.135906D+02
      3  -0.247172D+01 -0.208736D+01 -0.406782D+01  0.126925D+01 -0.662721D+01
      4  -0.330831D+01  0.149542D+02 -0.133325D+02  0.717018D+01 -0.517858D+01
      5   0.129466D+02 -0.413733D+00  0.816219D+01  0.181701D+01  0.167698D+02
      6  -0.125850D+01 -0.251174D+00 -0.449516D+01  0.220315D+01 -0.267286D+01
                71            72            73            74            75 
      1  -0.240959D+01  0.147206D+02  0.187279D+01  0.454660D+00  0.311354D+01
      2  -0.194428D+00 -0.102796D+02 -0.463630D+01  0.116585D+01  0.380308D+01
      3   0.260402D+01 -0.444103D+01  0.276351D+01 -0.162051D+01 -0.691663D+01
      4   0.501681D+01 -0.121766D+01 -0.652889D+01  0.629839D+01  0.498390D+01
      5   0.890057D+00 -0.247992D+01 -0.826306D+01  0.518024D+01  0.123383D+02
      6   0.356497D+01  0.100127D+01  0.531690D+01 -0.412390D+01 -0.576079D+01
                76            77            78            79            80 
      1   0.490576D+00 -0.875324D+01 -0.864601D+01  0.307691D+01 -0.787758D+01
      2   0.807993D+00  0.335114D+01  0.607897D+00  0.371309D+01 -0.144268D+01
      3  -0.129857D+01  0.540209D+01  0.803812D+01 -0.679000D+01  0.932026D+01
      4   0.444973D+01 -0.492689D+01 -0.557773D+01  0.473979D+01 -0.618522D+01
      5   0.417052D+01 -0.582981D+01 -0.673768D+01  0.954808D+01 -0.762262D+01
      6  -0.325875D+01  0.970268D+01  0.124594D+02 -0.515166D+01  0.123339D+02
                81            82            83            84            85 
      1  -0.181243D+02  0.885569D+01  0.486564D+00 -0.278766D+00 -0.888877D+00
      2  -0.980787D+01 -0.619469D+01  0.432984D+00  0.235695D+01  0.118237D+01
      3   0.279321D+02 -0.266100D+01 -0.919549D+00 -0.207818D+01 -0.293496D+00
      4  -0.886350D+01  0.138142D+02  0.123759D+02 -0.937434D+01  0.985014D+01
      5  -0.167477D+02 -0.125668D+02 -0.823177D+01  0.124920D+02 -0.628587D+01
      6   0.178473D+02 -0.861439D+01 -0.743256D+01  0.772206D+01 -0.641539D+01
                86            87            88            89            90 
      1  -0.636109D+01  0.341777D+01 -0.579345D+00  0.270426D+01 -0.556091D+01
      2   0.778356D+01 -0.215204D+01  0.309786D+01 -0.105788D+00 -0.410238D+01
      3  -0.142247D+01 -0.126573D+01 -0.251852D+01 -0.259847D+01  0.966329D+01
      4   0.136182D+02 -0.889409D+01 -0.912194D+01 -0.975951D+01  0.107849D+02
      5  -0.834946D+01  0.645662D+01  0.113369D+02  0.901556D+01 -0.135975D+02
      6  -0.121145D+02  0.107573D+02  0.863705D+01  0.120943D+02 -0.139013D+02
                91            92            93            94            95 
      1   0.344325D+02  0.120462D+02  0.157575D+02  0.128334D+02  0.114658D+02
      2  -0.185612D+02 -0.461085D+01 -0.811771D+01 -0.420133D+01 -0.234810D+01
      3  -0.158713D+02 -0.743535D+01 -0.763979D+01 -0.863211D+01 -0.911771D+01
      4   0.161892D+02  0.132137D+02  0.105261D+02  0.212276D+02  0.212562D+02
      5   0.200462D+02  0.103876D+02  0.174502D+02  0.101211D+02  0.919885D+01
      6   0.609928D+01  0.325195D+01  0.428301D+01  0.406262D+01  0.412554D+01
                96            97            98            99           100 
      1   0.647612D+01  0.323728D+02  0.139991D+02  0.152173D+02  0.505582D+02
      2  -0.183474D+01 -0.183263D+02 -0.645694D+01 -0.118959D+02 -0.293725D+02
      3  -0.464138D+01 -0.140466D+02 -0.754220D+01 -0.332137D+01 -0.211857D+02
      4   0.948077D+01  0.207609D+02  0.167333D+02  0.179484D+02 -0.155751D+02
      5   0.126900D+02  0.291970D+02  0.201939D+02  0.348234D+02 -0.163307D+02
      6   0.756570D+01  0.872420D+01  0.104031D+02  0.106888D+02  0.140123D+01
               101           102           103           104           105 
      1  -0.162935D+02 -0.122396D+02 -0.332346D+02  0.133697D+02  0.881514D+01
      2   0.100631D+02  0.878373D+01  0.191813D+02 -0.704128D+01 -0.703332D+01
      3   0.623041D+01  0.345585D+01  0.140533D+02 -0.632846D+01 -0.178182D+01
      4   0.117143D+02  0.527370D+01  0.182088D+02 -0.172660D+02 -0.753234D+01
      5   0.634384D+01  0.134124D+02  0.121940D+02 -0.810946D+01 -0.912392D+01
      6  -0.557265D+00  0.224104D+00 -0.180626D+01  0.186617D+01  0.300143D+01
               106           107           108           109           110 
      1  -0.165172D+02  0.641192D+01  0.110086D+02  0.301950D+01  0.724711D+01
      2   0.119478D+02 -0.551782D+01 -0.945724D+01 -0.143927D+01 -0.411072D+01
      3   0.456943D+01 -0.894102D+00 -0.155131D+01 -0.158022D+01 -0.313638D+01
      4   0.641447D+01 -0.688476D+01 -0.361668D+01  0.548654D+01  0.539262D+01
      5   0.180630D+02 -0.406939D+01 -0.120250D+02 -0.369271D+01 -0.717312D+00
      6  -0.427998D+00  0.366132D+01  0.104634D+01 -0.258910D+01  0.964561D+00
               111           112           113           114           115 
      1  -0.475219D+01  0.121106D+02 -0.233200D+01  0.597891D+01 -0.781279D+01
      2   0.211153D+01 -0.392456D+01  0.121447D+02 -0.555945D+01  0.435417D+01
      3   0.264066D+01 -0.818601D+01 -0.981272D+01 -0.419460D+00  0.345863D+01
      4  -0.109114D+01  0.205729D+02  0.396988D+02 -0.179057D+02 -0.824262D+01
      5   0.474049D+01 -0.664387D+01 -0.200857D+02  0.170198D+02  0.153101D+02
      6   0.561777D+00 -0.571071D+01 -0.176988D+02  0.131623D+02  0.673708D+01
               116           117           118           119           120 
      1   0.690067D+01 -0.180795D+01 -0.275279D+01 -0.607306D+01 -0.456904D+01
      2  -0.596087D+01 -0.170988D+01  0.283809D+01  0.775579D+01  0.447321D+01
      3  -0.939803D+00  0.351782D+01 -0.852937D-01 -0.168273D+01  0.958313D-01
      4  -0.216734D+02  0.190143D+02  0.594148D+01  0.804452D+01  0.526127D+01
      5   0.221508D+02 -0.196934D+02  0.251267D+01  0.335966D+01  0.481366D+01
      6   0.164421D+02 -0.134168D+02  0.730484D+01  0.711773D+01  0.583743D+01
               121           122           123           124           125 
      1  -0.511578D+01 -0.237317D+02 -0.904055D+01 -0.706863D+01 -0.184678D+02
      2   0.680160D+01  0.292095D+02  0.996527D+01  0.578356D+01  0.180813D+02
      3  -0.168583D+01 -0.547776D+01 -0.924722D+00  0.128507D+01  0.386541D+00
      4   0.364969D+01  0.384361D+01  0.350116D+01  0.575046D+01  0.583457D+01
      5   0.170109D+01  0.251674D+01  0.118634D+01  0.500817D+01  0.355206D+01
      6   0.435338D+01  0.146694D+02  0.144425D+02  0.761243D+01  0.265297D+02
               126           127           128           129           130 
      1  -0.192855D+02 -0.176416D+01  0.271977D+01 -0.210792D+01 -0.278179D+01
      2   0.135776D+02  0.486412D+01 -0.555780D+01  0.255237D+01  0.896597D+00
      3   0.570790D+01 -0.309996D+01  0.283803D+01 -0.444451D+00  0.188519D+01
      4   0.430157D+01 -0.397001D+01  0.106493D+02 -0.410787D+01  0.566965D+01
      5   0.315888D+01  0.208497D+01 -0.258003D+01  0.375819D+01 -0.179822D+01
      6   0.239330D+02 -0.478159D+01  0.479187D+01 -0.100031D+01  0.101305D+01
               131           132           133           134           135 
      1  -0.424115D+02  0.137048D+02  0.859736D-01  0.222638D+02 -0.170381D+02
      2   0.595624D+02 -0.179827D+02  0.104406D+01 -0.268736D+02  0.157037D+02
      3  -0.171509D+02  0.427787D+01 -0.113003D+01  0.460978D+01  0.133448D+01
      4  -0.969552D+01  0.420515D+01 -0.377762D+01  0.549881D+01 -0.326702D+01
      5   0.320326D+01 -0.140366D+01  0.306796D+01 -0.185119D+01  0.228800D+01
      6  -0.273157D+02  0.165594D+02  0.159659D+01  0.274070D+02 -0.168184D+02
               136           137           138           139           140 
      1   0.146601D+02 -0.495875D+01  0.834408D+00 -0.703303D+01  0.654627D+01
      2  -0.762176D-01  0.659387D+01  0.790349D+01  0.103331D+02 -0.221403D+01
      3  -0.145839D+02 -0.163512D+01 -0.873789D+01 -0.330004D+01 -0.433225D+01
      4  -0.816919D+01 -0.361383D+01 -0.178044D+01 -0.898488D+01  0.141326D+02
      5   0.186184D+01 -0.642974D+01 -0.148849D+02 -0.795363D+01 -0.187968D+02
      6  -0.510244D+01 -0.871962D+01 -0.241299D+01 -0.129369D+02  0.187022D+02
               141           142           143           144           145 
      1  -0.402187D+01 -0.948307D+00 -0.173060D+01 -0.101640D+02  0.595833D+01
      2   0.135687D+02  0.750987D+01  0.100698D+02  0.342565D+01 -0.201564D+01
      3  -0.954685D+01 -0.656157D+01 -0.833920D+01  0.673839D+01 -0.394268D+01
      4  -0.149940D+02 -0.577707D+00 -0.980728D+01 -0.325011D+01 -0.154290D+02
      5  -0.801577D+01 -0.186516D+02 -0.563684D+01 -0.987927D+01 -0.187699D+02
      6  -0.180899D+02 -0.191963D+01 -0.137265D+02 -0.773128D+01  0.927106D+00
               146           147           148           149           150 
      1  -0.165004D+02 -0.163516D+02 -0.210974D+02 -0.203878D+02 -0.745053D+01
      2   0.133003D+02  0.638779D+01  0.191772D+02  0.900269D-01  0.633747D+01
      3   0.320004D+01  0.996386D+01  0.192016D+01  0.202978D+02  0.111306D+01
      4  -0.213456D+02 -0.281494D+01 -0.359996D+02  0.330466D+02 -0.167132D+02
      5  -0.306145D+01 -0.180880D+02 -0.494678D+01 -0.152024D+02 -0.113739D+02
      6  -0.173888D+01  0.784452D+00 -0.226928D+01  0.234393D+01 -0.565550D+00
               151           152           153           154           155 
      1  -0.222944D+02 -0.666787D+01 -0.190865D+02 -0.818310D+01  0.196531D+00
      2   0.659067D+01  0.588588D+01  0.163952D+02  0.153019D+01 -0.564502D+00
      3   0.157037D+02  0.781990D+00  0.269129D+01  0.665291D+01  0.367971D+00
      4  -0.370403D+01 -0.174890D+02 -0.938955D+01  0.539171D+01  0.336326D+00
      5  -0.246821D+02 -0.100282D+02  0.304668D+02 -0.150870D+02  0.201337D+01
      6   0.808353D+00  0.121440D+01 -0.358125D+01  0.191994D+01 -0.292776D+01
               156           157           158           159           160 
      1   0.826449D+01  0.149544D+01 -0.250589D+01 -0.112966D+01  0.499388D+01
      2   0.278277D+01 -0.161833D+01  0.120825D+01 -0.234965D+01  0.228275D+01
      3  -0.110473D+02  0.122889D+00  0.129764D+01  0.347931D+01 -0.727663D+01
      4  -0.780493D+00  0.145765D+01 -0.714106D+00  0.146987D+01 -0.809090D+00
      5   0.343272D+01  0.263163D+01  0.599767D+00  0.141834D+01  0.619168D+01
      6   0.186337D+01 -0.143677D+01 -0.846284D+00  0.376958D+01  0.447224D+00
               161           162           163           164           165 
      1  -0.815238D+00 -0.397792D+01  0.720588D+01  0.305525D+01  0.148438D+01
      2  -0.111721D+01 -0.230762D+01 -0.115432D+02 -0.430083D+01 -0.119065D+02
      3   0.193245D+01  0.628555D+01  0.433731D+01  0.124559D+01  0.104222D+02
      4  -0.853040D-01  0.143402D+01  0.586400D+01  0.598817D+01  0.394940D+01
      5   0.410656D+00 -0.393820D+01  0.181940D+02  0.738417D+01  0.205206D+02
      6   0.279134D+01  0.126376D+01  0.581833D+01  0.638811D+01  0.449218D+01
               166           167           168           169           170 
      1   0.411146D+01 -0.228518D+01 -0.409997D+01  0.486377D+00 -0.243092D+01
      2  -0.645801D+01 -0.247378D+01 -0.940290D+01 -0.972089D+01 -0.579562D+01
      3   0.234655D+01  0.475896D+01  0.135029D+02  0.923451D+01  0.822654D+01
      4   0.714373D+01  0.679432D+01  0.860029D+01  0.294710D+01  0.534114D+01
      5   0.113501D+02  0.113394D+02  0.148704D+02  0.166529D+02  0.814081D+01
      6   0.790008D+01  0.876062D+01  0.130611D+02  0.436429D+01  0.896041D+01
               171           172           173           174           175 
      1  -0.756594D+01 -0.299164D+00 -0.149233D+01  0.111755D+00 -0.790628D+00
      2  -0.176161D+02  0.557290D-01 -0.593356D+00 -0.245491D+01 -0.197175D+01
      3   0.251821D+02  0.243435D+00  0.208569D+01  0.234315D+01  0.276238D+01
      4   0.619359D+01 -0.549494D+01  0.860605D+01 -0.392680D+01  0.106406D+02
      5   0.244970D+02  0.534815D+01 -0.540699D+01  0.800623D+01 -0.679259D+01
      6   0.102197D+02 -0.500304D+01  0.566307D+01 -0.291788D+01  0.826828D+01
               176           177           178           179           180 
      1  -0.155344D+02  0.116895D+02 -0.807219D+00  0.701945D+01 -0.701128D+01
      2   0.173675D+02 -0.403372D+01 -0.171140D+01 -0.112684D+01 -0.929518D+00
      3  -0.183313D+01 -0.765576D+01  0.251862D+01 -0.589261D+01  0.794080D+01
      4  -0.212911D+02  0.109328D+02 -0.211952D+01  0.570337D+01 -0.541258D+01
      5   0.125709D+02 -0.937166D+01  0.621981D+01 -0.530413D+01  0.787856D+01
      6  -0.305078D+02  0.212406D+02 -0.297226D+01  0.138605D+02 -0.113903D+02
               181           182           183           184           185 
      1   0.103360D+02  0.295051D+01 -0.103134D+02  0.604152D+01  0.314394D+01
      2  -0.827718D+01 -0.202538D+01  0.749065D+01 -0.432953D+01 -0.116751D+01
      3  -0.205884D+01 -0.925129D+00  0.282272D+01 -0.171199D+01 -0.197642D+01
      4   0.217943D+01  0.425338D+01  0.307299D+00  0.760353D+01 -0.105704D+01
      5  -0.126961D+02 -0.532128D+00  0.157126D+02 -0.192178D+01 -0.428680D+01
      6   0.765377D+00 -0.392082D+00 -0.103767D+01 -0.121418D+01 -0.613423D+00
               186           187           188           189           190 
      1  -0.436194D+00 -0.182119D+02  0.786656D+00  0.895902D+01  0.155668D+02
      2   0.134798D+01  0.139625D+02  0.714125D+00 -0.184360D+02 -0.343370D+01
      3  -0.911785D+00  0.424936D+01 -0.150078D+01  0.947698D+01 -0.121331D+02
      4  -0.450972D+01  0.173718D+01 -0.618537D+01  0.268385D+01 -0.160437D+02
      5   0.558978D+01  0.257083D+02  0.331057D+01 -0.473675D+02  0.438591D+01
      6   0.386435D+01 -0.197341D+01  0.367155D+01  0.428144D+01 -0.971715D+00
               191           192           193           194           195 
      1  -0.107930D+02  0.403553D+01 -0.193821D+02  0.806785D+01  0.544171D+00
      2   0.143288D+01 -0.134389D+01  0.362973D+00  0.161720D+02 -0.252703D+01
      3   0.936017D+01 -0.269164D+01  0.190191D+02 -0.242399D+02  0.198286D+01
      4   0.192032D+02 -0.262362D+01  0.353173D+02 -0.536152D+02  0.888073D+01
      5  -0.199372D+01  0.525227D+01 -0.219450D+01  0.753219D+01 -0.858265D+01
      6   0.713392D+00 -0.805437D+00  0.122163D+01 -0.229446D+01  0.583222D+01
               196           197           198           199           200 
      1   0.845861D+01 -0.840521D+00  0.384606D+01  0.493366D+02  0.160571D+02
      2  -0.274449D+01 -0.179283D+01 -0.118230D+01 -0.256554D+02 -0.861410D+01
      3  -0.571412D+01  0.263335D+01 -0.266375D+01 -0.236812D+02 -0.744303D+01
      4  -0.556298D+01  0.101016D+02 -0.722327D+01  0.164527D+02  0.141472D+02
      5   0.968894D+01 -0.711149D+01  0.260540D+01  0.177712D+02  0.617597D+01
      6  -0.307728D+01  0.556535D+01 -0.249651D+01  0.846477D+00  0.702310D+00
               201           202           203           204           205 
      1   0.159184D+02  0.304375D+02  0.147647D+02  0.752451D+01  0.270943D+02
      2  -0.888764D+01 -0.156650D+02 -0.430870D+01 -0.474585D+01 -0.151492D+02
      3  -0.703074D+01 -0.147724D+02 -0.104561D+02 -0.277866D+01 -0.119451D+02
      4   0.603213D+01  0.223609D+02  0.155912D+02  0.107159D+02  0.763174D+01
      5   0.141443D+02  0.973684D+01  0.977310D+01  0.119168D+02  0.205812D+02
      6   0.705591D-01  0.185232D+01  0.178642D+01  0.237027D+01  0.106796D+01
               206           207           208           209           210 
      1   0.619440D+01  0.139008D+02 -0.176841D+01  0.194429D+01 -0.190462D+01
      2  -0.417412D+01 -0.110317D+02  0.389455D+01 -0.206004D+01  0.803154D+00
      3  -0.202028D+01 -0.286905D+01 -0.212614D+01  0.115757D+00  0.110146D+01
      4   0.113697D+02  0.854035D+01  0.981321D+00  0.716351D+01 -0.758605D+00
      5   0.876386D+01  0.154278D+02 -0.135145D+01  0.238832D+00  0.271122D+01
      6   0.210800D+01  0.190395D+01 -0.206437D+01  0.767817D+00  0.716280D+00
               211           212           213           214           215 
      1  -0.624877D+00 -0.239748D+02  0.412911D+01 -0.213776D+01  0.105627D+02
      2   0.234660D+01  0.397846D+02 -0.825036D+01 -0.822188D+00 -0.183969D+02
      3  -0.172172D+01 -0.158098D+02  0.412125D+01  0.295995D+01  0.783425D+01
      4   0.646965D+01  0.136497D+02 -0.185691D+01 -0.257273D+01 -0.580310D+01
      5   0.311454D-01 -0.154323D+01  0.253829D+01  0.295918D+01  0.393857D+01
      6  -0.123526D+00 -0.707258D+01  0.737837D+01  0.218923D+01  0.121075D+02
               216           217           218           219           220 
      1  -0.592198D+01  0.240753D+01 -0.268164D+01 -0.141015D+01 -0.299276D+01
      2   0.616533D+01 -0.423542D+01  0.293866D+00 -0.260495D+01  0.212980D+01
      3  -0.243355D+00  0.182789D+01  0.238777D+01  0.401510D+01  0.862963D+00
      4   0.474628D+01  0.731753D+01  0.938835D+01  0.870285D+01  0.607276D+01
      5  -0.871607D+00  0.105111D+02  0.762230D+01  0.117720D+02  0.393224D+01
      6  -0.463432D+01  0.725492D+01  0.792099D+01  0.762134D+01  0.559237D+01
               221           222           223           224           225 
      1  -0.106425D+02 -0.667584D+01 -0.189880D+01 -0.104345D+02 -0.171101D+02
      2   0.858522D+01  0.274031D+01 -0.248852D+01 -0.389113D+00 -0.582380D+01
      3   0.205732D+01  0.393553D+01  0.438733D+01  0.108236D+02  0.229339D+02
      4   0.105330D+02  0.762139D+01  0.888000D+01  0.103102D+02  0.134583D+02
      5   0.776909D+01  0.676422D+01  0.118109D+02  0.123001D+02  0.205180D+02
      6   0.120893D+02  0.137223D+02  0.897920D+01  0.198276D+02  0.246133D+02
               226           227           228           229           230 
      1   0.179031D+02 -0.937802D+01 -0.374467D+01 -0.620129D+01 -0.348587D+01
      2  -0.370326D+01  0.703561D-01  0.174219D+01 -0.285748D+01  0.139680D+02
      3  -0.141998D+02  0.930766D+01  0.200248D+01  0.905877D+01 -0.104821D+02
      4  -0.282154D+02  0.227506D+02  0.100980D+02  0.199441D+02 -0.277699D+02
      5  -0.105154D+02  0.798164D+01  0.915506D+01  0.546453D+01 -0.787060D+01
      6   0.613347D+01 -0.665541D+01 -0.548156D+01 -0.510872D+01  0.930909D+01
               231           232           233           234 
      1  -0.148354D+01 -0.436377D+01  0.101173D+01  0.204832D+01
      2   0.298395D+01  0.187185D+01  0.361013D+01 -0.921352D+00
      3  -0.150042D+01  0.249192D+01 -0.462186D+01 -0.112697D+01
      4  -0.958318D+01  0.114929D+02 -0.138262D+02 -0.715538D+01
      5  -0.573535D+01  0.905495D+01 -0.468333D+01 -0.688827D+01
      6   0.648801D+01 -0.651346D+01  0.443558D+01  0.592702D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116359D+03      0.172427D+02      0.191850D+02
   aniso      0.267120D+02      0.395831D+01      0.440421D+01
   xx         0.129472D+03      0.191857D+02      0.213470D+02
   yx         0.400842D+01      0.593987D+00      0.660899D+00
   yy         0.119118D+03      0.176515D+02      0.196399D+02
   zx         0.737242D+00      0.109248D+00      0.121555D+00
   zy         0.234874D+01      0.348047D+00      0.387254D+00
   zz         0.100488D+03      0.148908D+02      0.165683D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116359D+03      0.172427D+02      0.191850D+02
   aniso      0.267120D+02      0.395831D+01      0.440421D+01
   xx         0.128678D+03      0.190681D+02      0.212161D+02
   yx        -0.780305D+00     -0.115629D+00     -0.128655D+00
   yy         0.108961D+03      0.161463D+02      0.179652D+02
   zx        -0.546649D+01     -0.810051D+00     -0.901303D+00
   zy         0.959187D+01      0.142137D+01      0.158149D+01
   zz         0.111439D+03      0.165136D+02      0.183739D+02

 ----------------------------------------------------------------------
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 THE HURRIEDER I GO, THE BEHINDER I GET.
 Job cpu time:       0 days  4 hours 25 minutes 49.2 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 13.2 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:52:36 2021.
